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

C16H22N6O2S — CID 67002668

IUPAC2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCc1csc(Nc2nc(NC(CC(C)C)C(N)=O)ncc2C(N)=O)c1
InChIInChI=1S/C16H22N6O2S/c1-8(2)4-11(14(18)24)20-16-19-6-10(13(17)23)15(22-16)21-12-5-9(3)7-25-12/h5-8,11H,4H2,1-3H3,(H2,17,23)(H2,18,24)(H2,19,20,21,22)
InChIKeyUGUWPRPVPFBBQP-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.00
Rot. Bonds8

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

2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 67002668) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID67002668
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide
SMILESCc1csc(Nc2nc(NC(CC(C)C)C(N)=O)ncc2C(N)=O)c1
InChIInChI=1S/C16H22N6O2S/c1-8(2)4-11(14(18)24)20-16-19-6-10(13(17)23)15(22-16)21-12-5-9(3)7-25-12/h5-8,11H,4H2,1-3H3,(H2,17,23)(H2,18,24)(H2,19,20,21,22)
InChIKeyUGUWPRPVPFBBQP-UHFFFAOYSA-N
XLogP2.00
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide (CID 67002668) is 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide is Cc1csc(Nc2nc(NC(CC(C)C)C(N)=O)ncc2C(N)=O)c1.
What is the InChIKey of 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is UGUWPRPVPFBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-8(2)4-11(14(18)24)20-16-19-6-10(13(17)23)15(22-16)21-12-5-9(3)7-25-12/h5-8,11H,4H2,1-3H3,(H2,17,23)(H2,18,24)(H2,19,20,21,22).
What are the key properties of 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide?
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-[(4-methylthiophen-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 67002668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).