3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide

C14H25N5O — CID 106347482

IUPAC3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
SMILESCCCc1nc(NC)c(C)c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-6-7-10-17-13(16-5)9(4)14(18-10)19-11(8(2)3)12(15)20/h8,11H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyUXBMZAFQMPUECK-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.70
Rot. Bonds7

About 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide

3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide (PubChem CID 106347482) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
PubChem CID106347482
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
SMILESCCCc1nc(NC)c(C)c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C14H25N5O/c1-6-7-10-17-13(16-5)9(4)14(18-10)19-11(8(2)3)12(15)20/h8,11H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19)
InChIKeyUXBMZAFQMPUECK-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
CID 80985906
N-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 80987583
6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine
CID 80991797
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
4-N-[2-(dimethylamino)propyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982651
2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347652
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106347539
5-methyl-4-N-(2-methylpentan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80987275
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 113458137
(2S)-2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80992204
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
6-hydrazinyl-5-methyl-N-(4-methylhexan-2-yl)-2-propylpyrimidin-4-amine
CID 81007165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide (CID 106347482) is 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide is CCCc1nc(NC)c(C)c(NC(C(N)=O)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide?
The InChIKey is UXBMZAFQMPUECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-6-7-10-17-13(16-5)9(4)14(18-10)19-11(8(2)3)12(15)20/h8,11H,6-7H2,1-5H3,(H2,15,20)(H2,16,17,18,19).
What are the key properties of 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide?
3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide has a molecular weight of 279.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide is sourced from PubChem (CID 106347482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).