2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide

C18H22N8O2 — CID 67002769

IUPAC2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
SMILESCOCC(N)CNc1ncc(C(N)=O)c(Nc2cccc(-n3cccn3)c2)n1
InChIInChI=1S/C18H22N8O2/c1-28-11-12(19)9-21-18-22-10-15(16(20)27)17(25-18)24-13-4-2-5-14(8-13)26-7-3-6-23-26/h2-8,10,12H,9,11,19H2,1H3,(H2,20,27)(H2,21,22,24,25)
InChIKeySLOLYWDURBNKCB-UHFFFAOYSA-N
MW382.43 g/mol
LogP0.89
Rot. Bonds9

About 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide

2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide (PubChem CID 67002769) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
PubChem CID67002769
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide
SMILESCOCC(N)CNc1ncc(C(N)=O)c(Nc2cccc(-n3cccn3)c2)n1
InChIInChI=1S/C18H22N8O2/c1-28-11-12(19)9-21-18-22-10-15(16(20)27)17(25-18)24-13-4-2-5-14(8-13)26-7-3-6-23-26/h2-8,10,12H,9,11,19H2,1H3,(H2,20,27)(H2,21,22,24,25)
InChIKeySLOLYWDURBNKCB-UHFFFAOYSA-N
XLogP0.89
TPSA146.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(2-amino-3-methoxypropyl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 67002016
2-[[(2S)-2-amino-3-methoxypropyl]amino]-4-(naphthalen-1-ylamino)pyrimidine-5-carboxamide
CID 142786034
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-amino-2-oxoethyl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57472102
2-[(2-amino-3-methoxypropyl)amino]-4-[(2-methylindazol-4-yl)amino]pyrimidine-5-carboxamide;ethane
CID 143890383
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199677
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 57480312
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
CID 67002750
2-[[(2S)-2-aminopropyl]amino]-4-[3-methyl-5-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
CID 59199550
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide (CID 67002769) is 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide is COCC(N)CNc1ncc(C(N)=O)c(Nc2cccc(-n3cccn3)c2)n1.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is SLOLYWDURBNKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-28-11-12(19)9-21-18-22-10-15(16(20)27)17(25-18)24-13-4-2-5-14(8-13)26-7-3-6-23-26/h2-8,10,12H,9,11,19H2,1H3,(H2,20,27)(H2,21,22,24,25).
What are the key properties of 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide?
2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 0.89, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)amino]-4-(3-pyrazol-1-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 67002769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).