4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide

C10H16N4O — CID 142718127

IUPAC4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
SMILESCCC(C)(C)Nc1ncncc1C(N)=O
InChIInChI=1S/C10H16N4O/c1-4-10(2,3)14-9-7(8(11)15)5-12-6-13-9/h5-6H,4H2,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyYJBWQYQMQUUACN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.18
Rot. Bonds4

About 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide

4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 142718127) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID142718127
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
SMILESCCC(C)(C)Nc1ncncc1C(N)=O
InChIInChI=1S/C10H16N4O/c1-4-10(2,3)14-9-7(8(11)15)5-12-6-13-9/h5-6H,4H2,1-3H3,(H2,11,15)(H,12,13,14)
InChIKeyYJBWQYQMQUUACN-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2,2-trifluoroethylamino)pyrimidine-5-carboxamide
CID 90839382
2-[(5-carbamothioylpyrimidin-4-yl)amino]acetamide
CID 130541201
4-(2-methylanilino)pyrimidine-5-carboxamide
CID 175855018
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-5-carboxylic acid
CID 114214902
methyl 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-5-carboxylate
CID 114214892
2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide
CID 66340117
3-[(5-carbamothioylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 112755481
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 71237447
2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine
CID 66319839
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 142718123
4-[[3-(diethylamino)-3-oxopropyl]amino]pyrimidine-5-carboxylic acid
CID 114214618
2-methyl-1-[4-(2-sulfanylethylamino)pyrimidin-5-yl]propan-1-one
CID 143328123

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide (CID 142718127) is 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide is CCC(C)(C)Nc1ncncc1C(N)=O.
What is the InChIKey of 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is YJBWQYQMQUUACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-10(2,3)14-9-7(8(11)15)5-12-6-13-9/h5-6H,4H2,1-3H3,(H2,11,15)(H,12,13,14).
What are the key properties of 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide?
4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 142718127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).