2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide

C20H24N6O3 — CID 67002566

IUPAC2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCOCC(N)CNc1ncc(C(N)=O)c(Nc2ccc3cc(OC)ccc3c2)n1
InChIInChI=1S/C20H24N6O3/c1-28-11-14(21)9-23-20-24-10-17(18(22)27)19(26-20)25-15-5-3-13-8-16(29-2)6-4-12(13)7-15/h3-8,10,14H,9,11,21H2,1-2H3,(H2,22,27)(H2,23,24,25,26)
InChIKeyWBFVFPJMCUOTFN-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.87
Rot. Bonds9

About 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide

2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 67002566) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID67002566
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCOCC(N)CNc1ncc(C(N)=O)c(Nc2ccc3cc(OC)ccc3c2)n1
InChIInChI=1S/C20H24N6O3/c1-28-11-14(21)9-23-20-24-10-17(18(22)27)19(26-20)25-15-5-3-13-8-16(29-2)6-4-12(13)7-15/h3-8,10,14H,9,11,21H2,1-2H3,(H2,22,27)(H2,23,24,25,26)
InChIKeyWBFVFPJMCUOTFN-UHFFFAOYSA-N
XLogP1.87
TPSA137.41 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[(2-amino-3-methoxypropyl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide
CID 67289468
2-[(2-amino-3-methoxypropyl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 67002016
2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
CID 67002769
2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
CID 142786034
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane
CID 143890383
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
2-[2-(methylamino)propylamino]-4-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 143890450
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(3,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 59199511
2-N-(2-amino-3-methoxypropyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 174734138

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide (CID 67002566) is 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide is COCC(N)CNc1ncc(C(N)=O)c(Nc2ccc3cc(OC)ccc3c2)n1.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is WBFVFPJMCUOTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-28-11-14(21)9-23-20-24-10-17(18(22)27)19(26-20)25-15-5-3-13-8-16(29-2)6-4-12(13)7-15/h3-8,10,14H,9,11,21H2,1-2H3,(H2,22,27)(H2,23,24,25,26).
What are the key properties of 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide?
2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.87, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 67002566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).