6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C19H22N6O2 — CID 3010902

IUPAC6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cccc2c1C(OC)CN2Cc1cnc2nc(N)nc(N)c2c1C
InChIInChI=1S/C19H22N6O2/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25-9-14(27-3)16-12(25)5-4-6-13(16)26-2/h4-7,14H,8-9H2,1-3H3,(H4,20,21,22,23,24)
InChIKeyNSRGDMFJQIOMOL-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.21
Rot. Bonds4

About 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine

6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 3010902) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID3010902
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cccc2c1C(OC)CN2Cc1cnc2nc(N)nc(N)c2c1C
InChIInChI=1S/C19H22N6O2/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25-9-14(27-3)16-12(25)5-4-6-13(16)26-2/h4-7,14H,8-9H2,1-3H3,(H4,20,21,22,23,24)
InChIKeyNSRGDMFJQIOMOL-UHFFFAOYSA-N
XLogP2.21
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 20978629
4-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]butanoic acid
CID 6481073
5-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]pentanoic acid
CID 6481074
5-[3-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenyl]pent-4-ynoic acid
CID 6481077
5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
CID 66924159
methyl 2-[2-amino-4-chloro-7-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]acetate
CID 75274304
4-N-[1-[[2-(4-methoxyphenoxy)phenyl]methyl]-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400238
(NZ)-N-[2-amino-7-(2,6-dimethoxyphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 87290823
4-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 46932615
5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine
CID 70422933
6-[(3-methoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531543

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 3010902) is 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is COc1cccc2c1C(OC)CN2Cc1cnc2nc(N)nc(N)c2c1C.
What is the InChIKey of 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NSRGDMFJQIOMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-10-11(7-22-18-15(10)17(20)23-19(21)24-18)8-25-9-14(27-3)16-12(25)5-4-6-13(16)26-2/h4-7,14H,8-9H2,1-3H3,(H4,20,21,22,23,24).
What are the key properties of 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 366.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxy-2,3-dihydroindol-1-yl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 3010902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).