6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine

C18H26ClN7 — CID 19145920

IUPAC6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCC1(C)CC(Nc2ncnc(Nc3cccnc3Cl)c2N)CC(C)(C)N1
InChIInChI=1S/C18H26ClN7/c1-17(2)8-11(9-18(3,4)26-17)24-15-13(20)16(23-10-22-15)25-12-6-5-7-21-14(12)19/h5-7,10-11,26H,8-9,20H2,1-4H3,(H2,22,23,24,25)
InChIKeyPAQRHAIBMOMSCG-UHFFFAOYSA-N
MW375.91 g/mol
LogP3.57
Rot. Bonds4

About 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine

6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine (PubChem CID 19145920) has the molecular formula C18H26ClN7 and a molecular weight of 375.91 g/mol. Its IUPAC name is 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
PubChem CID19145920
Molecular FormulaC18H26ClN7
Molecular Weight375.91 g/mol
Exact Mass375.19
IUPAC Name6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
SMILESCC1(C)CC(Nc2ncnc(Nc3cccnc3Cl)c2N)CC(C)(C)N1
InChIInChI=1S/C18H26ClN7/c1-17(2)8-11(9-18(3,4)26-17)24-15-13(20)16(23-10-22-15)25-12-6-5-7-21-14(12)19/h5-7,10-11,26H,8-9,20H2,1-4H3,(H2,22,23,24,25)
InChIKeyPAQRHAIBMOMSCG-UHFFFAOYSA-N
XLogP3.57
TPSA100.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(2-ethoxyphenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145913
2-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridine-2,3-diamine
CID 28818397
6-N-(4-bromophenyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine
CID 19145827
1-[4-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 19145832
4-N-(2-chloro-3-pyridinyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149079
1-[3-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547435
4-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
5-nitro-6-N-quinolin-5-yl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 22528430
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19145815
6-N-(2-chloro-3-pyridinyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19141069
dimethyl 5-[[5-amino-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547635
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine (CID 19145920) is 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine is CC1(C)CC(Nc2ncnc(Nc3cccnc3Cl)c2N)CC(C)(C)N1.
What is the InChIKey of 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
The InChIKey is PAQRHAIBMOMSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN7/c1-17(2)8-11(9-18(3,4)26-17)24-15-13(20)16(23-10-22-15)25-12-6-5-7-21-14(12)19/h5-7,10-11,26H,8-9,20H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine?
6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine has a molecular weight of 375.91 g/mol, XLogP of 3.57, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-3-pyridinyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19145920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).