(7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine

C15H20ClN5 — CID 123733073

IUPAC(7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILES[C-]#[N+]c1cnc(Cl)nc1N[C@@H]1CC2CCCN2C(C)(C)C1
InChIInChI=1S/C15H20ClN5/c1-15(2)8-10(7-11-5-4-6-21(11)15)19-13-12(17-3)9-18-14(16)20-13/h9-11H,4-8H2,1-2H3,(H,18,19,20)/t10-,11?/m1/s1
InChIKeyHKOHBVXLOOBXNN-NFJWQWPMSA-N
MW305.81 g/mol
LogP3.50
Rot. Bonds2

About (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine

(7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine (PubChem CID 123733073) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine.

Molecular Properties

Compound Name(7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
PubChem CID123733073
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name(7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine
SMILES[C-]#[N+]c1cnc(Cl)nc1N[C@@H]1CC2CCCN2C(C)(C)C1
InChIInChI=1S/C15H20ClN5/c1-15(2)8-10(7-11-5-4-6-21(11)15)19-13-12(17-3)9-18-14(16)20-13/h9-11H,4-8H2,1-2H3,(H,18,19,20)/t10-,11?/m1/s1
InChIKeyHKOHBVXLOOBXNN-NFJWQWPMSA-N
XLogP3.50
TPSA45.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]pyrimidine-5-carbonitrile
CID 86704469
amino-[2-chloro-4-[(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)amino]pyrimidin-5-yl]methanol
CID 123355577
1-[5-[[4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-isocyanopyrimidin-2-yl]amino]-4-fluoro-2-[(2S)-2-hydroxypropoxy]phenyl]-4-(trideuteriomethyl)tetrazol-5-one
CID 140623769
(7R,8aS)-N-(2-chloro-5-fluoropyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine;6-[[4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-2,2,4-trimethyl-1,4-benzoxazin-3-one;6-amino-2,2,4-trimethyl-1,4-benzoxazin-3-one
CID 159330796
2,5-dichloro-N-cyclopentylpyrimidin-4-amine
CID 79633393
2,5-dichloro-N-[(1R,3S)-3-methylcyclohexyl]pyrimidin-4-amine
CID 122417179
4-[[4-[[(7R,8aR)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-5-fluoro-2-(5-methyltetrazol-1-yl)phenol
CID 136619670
2-N-[4-cyclopropyl-2-fluoro-5-(tetrazol-1-yl)phenyl]-4-N-(5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl)-5-fluoropyrimidine-2,4-diamine
CID 71811479
5,5,7-trimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
CID 123301947
4-N-[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]-6-[3-chloro-4-[(3S,4S)-3-fluoropiperidin-4-yl]oxyphenyl]-5-fluoropyrimidine-2,4-diamine
CID 121289720
2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 79633134
1-[5-[[4-[[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]amino]-5-fluoropyrimidin-2-yl]amino]-4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methyltetrazol-5-one
CID 71811556

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The IUPAC name of (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine (CID 123733073) is (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine.
What is the SMILES notation for (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The canonical SMILES for (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine is [C-]#[N+]c1cnc(Cl)nc1N[C@@H]1CC2CCCN2C(C)(C)C1.
What is the InChIKey of (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
The InChIKey is HKOHBVXLOOBXNN-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H20ClN5/c1-15(2)8-10(7-11-5-4-6-21(11)15)19-13-12(17-3)9-18-14(16)20-13/h9-11H,4-8H2,1-2H3,(H,18,19,20)/t10-,11?/m1/s1.
What are the key properties of (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine?
(7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine has a molecular weight of 305.81 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(2-chloro-5-isocyanopyrimidin-4-yl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-amine is sourced from PubChem (CID 123733073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).