2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide

C15H20N6O2S — CID 67002505

IUPAC2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCc1csc(Nc2nc(NC(C(N)=O)C(C)C)ncc2C(N)=O)c1
InChIInChI=1S/C15H20N6O2S/c1-7(2)11(13(17)23)20-15-18-5-9(12(16)22)14(21-15)19-10-4-8(3)6-24-10/h4-7,11H,1-3H3,(H2,16,22)(H2,17,23)(H2,18,19,20,21)
InChIKeyKELXPKJCFIABKR-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.61
Rot. Bonds7

About 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide

2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 67002505) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID67002505
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCc1csc(Nc2nc(NC(C(N)=O)C(C)C)ncc2C(N)=O)c1
InChIInChI=1S/C15H20N6O2S/c1-7(2)11(13(17)23)20-15-18-5-9(12(16)22)14(21-15)19-10-4-8(3)6-24-10/h4-7,11H,1-3H3,(H2,16,22)(H2,17,23)(H2,18,19,20,21)
InChIKeyKELXPKJCFIABKR-UHFFFAOYSA-N
XLogP1.61
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

US9579320, Example 192
CID 57471982
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]thiophene-3-carboxamide
CID 91922862
N-thiophen-2-ylpyrimidine-5-carboxamide
CID 57469842
2-(ethylamino)-N-methyl-N-(3-thienylmethyl)pyrimidine-5-carboxamide
CID 56740516
(r)-2-(1-Amino-3-methyl-1-oxobutan-2-ylamino)-4-(4-methylthiophen-2-ylamino)pyrimidine-5-carboxamide
CID 59199561
(r)-2-(1-Amino-4-methyl-1-oxopentan-2-ylamino)-4-(4-methylthiophen-2-ylamino)pyrimidine-5-carboxamide
CID 59199591
2-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
CID 67002668
2-(Pyrimidin-5-ylamino)thiophene-3-carboxamide
CID 67084190
1-[2-[Methyl-(1-methylpiperidin-4-yl)amino]-5-oxo-6,6a,10a,11-tetrahydropyrimido[4,5-b][1,5]benzodiazepin-8-yl]-3-thiophen-2-ylurea
CID 68338233
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
2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylthiophene-3-carboxamide
CID 87330282

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide (CID 67002505) is 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide is Cc1csc(Nc2nc(NC(C(N)=O)C(C)C)ncc2C(N)=O)c1.
What is the InChIKey of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KELXPKJCFIABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-7(2)11(13(17)23)20-15-18-5-9(12(16)22)14(21-15)19-10-4-8(3)6-24-10/h4-7,11H,1-3H3,(H2,16,22)(H2,17,23)(H2,18,19,20,21).
What are the key properties of 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 67002505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).