5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

C21H24N4O3 — CID 169416582

IUPAC5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1cc2nc(-c3cnc(NCC4CCCO4)nc3)cc(C)c2cc1OC
InChIInChI=1S/C21H24N4O3/c1-13-7-17(25-18-9-20(27-3)19(26-2)8-16(13)18)14-10-22-21(23-11-14)24-12-15-5-4-6-28-15/h7-11,15H,4-6,12H2,1-3H3,(H,22,23,24)
InChIKeyZZABWKSKNKVVQN-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.61
Rot. Bonds6

About 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 169416582) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID169416582
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCOc1cc2nc(-c3cnc(NCC4CCCO4)nc3)cc(C)c2cc1OC
InChIInChI=1S/C21H24N4O3/c1-13-7-17(25-18-9-20(27-3)19(26-2)8-16(13)18)14-10-22-21(23-11-14)24-12-15-5-4-6-28-15/h7-11,15H,4-6,12H2,1-3H3,(H,22,23,24)
InChIKeyZZABWKSKNKVVQN-UHFFFAOYSA-N
XLogP3.61
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 117090820
N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
CID 170513028
6,7-dimethoxy-4-(oxolan-2-ylmethylamino)-1H-quinazoline-2-thione
CID 3243470
5-(3-fluoro-4-methoxyphenyl)-N-[[(2R)-oxan-2-yl]methyl]-1,2,4-triazin-3-amine
CID 42526363
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237
N-(oxolan-2-ylmethyl)-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365492
4-N-(4-chloro-2-methoxy-5-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886964
6-methyl-4-N-(oxolan-2-ylmethyl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112912558
6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 95183335
2-amino-6-(2,5-dimethylfuran-3-yl)-4-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]pyridine-3-carbonitrile;formic acid
CID 171338719
8-chloro-3-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864408
N-(oxolan-2-ylmethyl)-6-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 44968192

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 169416582) is 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is COc1cc2nc(-c3cnc(NCC4CCCO4)nc3)cc(C)c2cc1OC.
What is the InChIKey of 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is ZZABWKSKNKVVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-7-17(25-18-9-20(27-3)19(26-2)8-16(13)18)14-10-22-21(23-11-14)24-12-15-5-4-6-28-15/h7-11,15H,4-6,12H2,1-3H3,(H,22,23,24).
What are the key properties of 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 169416582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).