2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide

C19H22N6O2 — CID 142786034

IUPAC2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
SMILESCOC[C@@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3ccccc23)n1
InChIInChI=1S/C19H22N6O2/c1-27-11-13(20)9-22-19-23-10-15(17(21)26)18(25-19)24-16-8-4-6-12-5-2-3-7-14(12)16/h2-8,10,13H,9,11,20H2,1H3,(H2,21,26)(H2,22,23,24,25)/t13-/m0/s1
InChIKeyWBURRINXXGGPCS-ZDUSSCGKSA-N
MW366.43 g/mol
LogP1.86
Rot. Bonds8

About 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide

2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide (PubChem CID 142786034) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
PubChem CID142786034
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
SMILESCOC[C@@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3ccccc23)n1
InChIInChI=1S/C19H22N6O2/c1-27-11-13(20)9-22-19-23-10-15(17(21)26)18(25-19)24-16-8-4-6-12-5-2-3-7-14(12)16/h2-8,10,13H,9,11,20H2,1H3,(H2,21,26)(H2,22,23,24,25)/t13-/m0/s1
InChIKeyWBURRINXXGGPCS-ZDUSSCGKSA-N
XLogP1.86
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane
CID 143890383
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-[(2-amino-3-methoxypropyl)amino]-4-[(6-methoxynaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002566
2-[(2-amino-3-methoxypropyl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide
CID 67289468
2-(2-aminobutylamino)-4-[(1-methylindol-4-yl)amino]pyrimidine-5-carboxamide
CID 67001909
4-(2-methoxy-3-pyridin-2-ylanilino)-2-(pyridin-2-ylamino)pyrimidine-5-carboxamide
CID 171626518
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
2-[(2-amino-4,4-difluorobutyl)amino]-4-[[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-4-yl]amino]pyrimidine-5-carboxamide
CID 123905971
4-anilino-2-[(2,3-dimethoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71237726
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide (CID 142786034) is 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide is COC[C@@H](N)CNc1ncc(C(N)=O)c(Nc2cccc3ccccc23)n1.
What is the InChIKey of 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide?
The InChIKey is WBURRINXXGGPCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-11-13(20)9-22-19-23-10-15(17(21)26)18(25-19)24-16-8-4-6-12-5-2-3-7-14(12)16/h2-8,10,13H,9,11,20H2,1H3,(H2,21,26)(H2,22,23,24,25)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide?
2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 142786034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).