4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine

C13H19N7OS — CID 144808747

IUPAC4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine
SMILESC1CCNC1.Cc1cc(Nc2ncc(C(N)=O)c(N)n2)sn1
InChIInChI=1S/C9H10N6OS.C4H9N/c1-4-2-6(17-15-4)13-9-12-3-5(8(11)16)7(10)14-9;1-2-4-5-3-1/h2-3H,1H3,(H2,11,16)(H3,10,12,13,14);5H,1-4H2
InChIKeyFYPULXMMLVUEFM-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.04
Rot. Bonds3

About 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine

4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine (PubChem CID 144808747) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine.

Molecular Properties

Compound Name4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine
PubChem CID144808747
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine
SMILESC1CCNC1.Cc1cc(Nc2ncc(C(N)=O)c(N)n2)sn1
InChIInChI=1S/C9H10N6OS.C4H9N/c1-4-2-6(17-15-4)13-9-12-3-5(8(11)16)7(10)14-9;1-2-4-5-3-1/h2-3H,1H3,(H2,11,16)(H3,10,12,13,14);5H,1-4H2
InChIKeyFYPULXMMLVUEFM-UHFFFAOYSA-N
XLogP1.04
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4,4-difluoro-N-[[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]methyl]pyrrolidine-3-carboxamide
CID 176723578
2-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
CID 71577869
2-[(1-Amino-1-oxobutan-2-yl)amino]-4-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
CID 78119074
(R)-5-(1-amino-1-oxobutan-2-ylamino)-3-(3-methylisothiazol-5-ylamino)pyrazine-2-carboxamide
CID 86685618
5-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572462
5-[(1-Amino-1-oxopropan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572465
5-[(1-Amino-1-oxobutan-2-yl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89572743
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(4-iodo-3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide
CID 89592484
2-(((1R,2S)-2-aminocyclohexyl)amino)-4-((3-methylisothiazol-5-yl)amino)pyrimidine-5-carboxamide
CID 89592485
5-[(2-Amino-2-oxoethyl)amino]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 89595274
(E)-4-(dimethylamino)-N-methyl-N-[(2S)-1-[5-[2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]but-2-enamide
CID 90051997
(2S)-2-(methylamino)-N-[5-[2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynyl]propanamide
CID 90052504

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine?
The IUPAC name of 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine (CID 144808747) is 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine.
What is the SMILES notation for 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine?
The canonical SMILES for 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine is C1CCNC1.Cc1cc(Nc2ncc(C(N)=O)c(N)n2)sn1.
What is the InChIKey of 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine?
The InChIKey is FYPULXMMLVUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS.C4H9N/c1-4-2-6(17-15-4)13-9-12-3-5(8(11)16)7(10)14-9;1-2-4-5-3-1/h2-3H,1H3,(H2,11,16)(H3,10,12,13,14);5H,1-4H2.
What are the key properties of 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine?
4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine has a molecular weight of 321.41 g/mol, XLogP of 1.04, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidine-5-carboxamide;pyrrolidine is sourced from PubChem (CID 144808747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).