4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide

C14H25N5O — CID 139517312

IUPAC4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCCC(CC)(Nc1nc(NC)ncc1C(N)=O)C(C)C
InChIInChI=1S/C14H25N5O/c1-6-14(7-2,9(3)4)19-12-10(11(15)20)8-17-13(16-5)18-12/h8-9H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeySYTUMRPYWRGABL-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.24
Rot. Bonds7

About 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide

4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 139517312) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID139517312
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide
SMILESCCC(CC)(Nc1nc(NC)ncc1C(N)=O)C(C)C
InChIInChI=1S/C14H25N5O/c1-6-14(7-2,9(3)4)19-12-10(11(15)20)8-17-13(16-5)18-12/h8-9H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeySYTUMRPYWRGABL-UHFFFAOYSA-N
XLogP2.24
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,3-dimethylbutan-2-ylamino)-2-(methylamino)pyrimidine-5-carboxamide
CID 58008559
2-(2-aminopropylamino)-4-(4-methylanilino)pyrimidine-5-carboxamide
CID 78119144
2-(2-aminopropylamino)-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 70981953
2-[(4-hydroxycyclohexyl)amino]-4-(2-methylpentan-2-ylamino)pyrimidine-5-carboxamide
CID 71238055
4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237177
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 71237447
4-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 142718127
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
[4-(tert-butylamino)-5-carbamoylpyrimidin-2-yl]methanesulfinate
CID 138692561

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide (CID 139517312) is 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide is CCC(CC)(Nc1nc(NC)ncc1C(N)=O)C(C)C.
What is the InChIKey of 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is SYTUMRPYWRGABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-14(7-2,9(3)4)19-12-10(11(15)20)8-17-13(16-5)18-12/h8-9H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide?
4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2-methylpentan-3-yl)amino]-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 139517312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).