3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide

C14H23N5O — CID 106098766

IUPAC3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCNc1nc(C2CC2)nc(NC(C)(C)CC(N)=O)c1C
InChIInChI=1S/C14H23N5O/c1-8-11(16-4)17-13(9-5-6-9)18-12(8)19-14(2,3)7-10(15)20/h9H,5-7H2,1-4H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyAYDFXGXVDXYSDK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.77
Rot. Bonds6

About 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide

3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106098766) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106098766
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCNc1nc(C2CC2)nc(NC(C)(C)CC(N)=O)c1C
InChIInChI=1S/C14H23N5O/c1-8-11(16-4)17-13(9-5-6-9)18-12(8)19-14(2,3)7-10(15)20/h9H,5-7H2,1-4H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyAYDFXGXVDXYSDK-UHFFFAOYSA-N
XLogP1.77
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993475
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80995092
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982786
3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098849
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992851
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098699
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006717
4-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80992975
2-cyclopropyl-4-N-[(3-ethylthiophen-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992318
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide (CID 106098766) is 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide is CNc1nc(C2CC2)nc(NC(C)(C)CC(N)=O)c1C.
What is the InChIKey of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is AYDFXGXVDXYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-8-11(16-4)17-13(9-5-6-9)18-12(8)19-14(2,3)7-10(15)20/h9H,5-7H2,1-4H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide?
3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106098766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).