3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide

C13H22N4O — CID 106097339

IUPAC3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCc1cc(NC(C)(C)CC(N)=O)nc(C(C)C)n1
InChIInChI=1S/C13H22N4O/c1-8(2)12-15-9(3)6-11(16-12)17-13(4,5)7-10(14)18/h6,8H,7H2,1-5H3,(H2,14,18)(H,15,16,17)
InChIKeyCTHQPTWOTAJTPU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.97
Rot. Bonds5

About 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide

3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide (PubChem CID 106097339) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
PubChem CID106097339
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
SMILESCc1cc(NC(C)(C)CC(N)=O)nc(C(C)C)n1
InChIInChI=1S/C13H22N4O/c1-8(2)12-15-9(3)6-11(16-12)17-13(4,5)7-10(14)18/h6,8H,7H2,1-5H3,(H2,14,18)(H,15,16,17)
InChIKeyCTHQPTWOTAJTPU-UHFFFAOYSA-N
XLogP1.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 115697086
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098039
3-methyl-3-[(4-methyl-2-pyridinyl)amino]butanamide
CID 106097095
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide (CID 106097339) is 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide is Cc1cc(NC(C)(C)CC(N)=O)nc(C(C)C)n1.
What is the InChIKey of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
The InChIKey is CTHQPTWOTAJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)12-15-9(3)6-11(16-12)17-13(4,5)7-10(14)18/h6,8H,7H2,1-5H3,(H2,14,18)(H,15,16,17).
What are the key properties of 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide?
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 106097339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).