4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine

C21H25N5O — CID 135090329

IUPAC4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)ncn1
InChIInChI=1S/C21H25N5O/c1-14(2)25-20-10-21(24-13-23-20)26-19-12-27-11-16(19)9-15-7-8-22-18-6-4-3-5-17(15)18/h3-8,10,13-14,16,19H,9,11-12H2,1-2H3,(H2,23,24,25,26)/t16-,19-/m1/s1
InChIKeyGTLYIPDTZKYZDS-VQIMIIECSA-N
MW363.47 g/mol
LogP3.51
Rot. Bonds6

About 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine

4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine (PubChem CID 135090329) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine
PubChem CID135090329
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine
SMILESCC(C)Nc1cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)ncn1
InChIInChI=1S/C21H25N5O/c1-14(2)25-20-10-21(24-13-23-20)26-19-12-27-11-16(19)9-15-7-8-22-18-6-4-3-5-17(15)18/h3-8,10,13-14,16,19H,9,11-12H2,1-2H3,(H2,23,24,25,26)/t16-,19-/m1/s1
InChIKeyGTLYIPDTZKYZDS-VQIMIIECSA-N
XLogP3.51
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 135102157
6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135103951
6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine
CID 135113317
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696924
1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
CID 134708750
5-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 135107300
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine (CID 135090329) is 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine is CC(C)Nc1cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)ncn1.
What is the InChIKey of 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine?
The InChIKey is GTLYIPDTZKYZDS-VQIMIIECSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14(2)25-20-10-21(24-13-23-20)26-19-12-27-11-16(19)9-15-7-8-22-18-6-4-3-5-17(15)18/h3-8,10,13-14,16,19H,9,11-12H2,1-2H3,(H2,23,24,25,26)/t16-,19-/m1/s1.
What are the key properties of 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine?
4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 135090329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).