4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide

C13H22N4O — CID 120561407

IUPAC4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
SMILESCC(N)CCC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-9(14)5-6-11(18)17-10-7-15-12(16-8-10)13(2,3)4/h7-9H,5-6,14H2,1-4H3,(H,17,18)
InChIKeySBQCWXNKDPDWAC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide

4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide (PubChem CID 120561407) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
PubChem CID120561407
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide
SMILESCC(N)CCC(=O)Nc1cnc(C(C)(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-9(14)5-6-11(18)17-10-7-15-12(16-8-10)13(2,3)4/h7-9H,5-6,14H2,1-4H3,(H,17,18)
InChIKeySBQCWXNKDPDWAC-UHFFFAOYSA-N
XLogP1.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylpyrimidin-5-yl)-3-(2-methylpropoxy)propanamide
CID 47416539
N-(2-tert-butylpyrimidin-5-yl)-4-methoxybutanamide
CID 47416531
2-amino-N-(2-tert-butylpyrimidin-5-yl)-2-methylpropanamide
CID 119305616
N-[(2R)-butan-2-yl]-3-[(2-tert-butylpyrimidin-5-yl)carbamoylamino]propanamide
CID 95300949
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
1-(2-tert-butylpyrimidin-5-yl)-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 97215845
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
CID 82852458
3-(2-tert-butylpyrimidin-5-yl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111969725
1-(2-tert-butylpyrimidin-5-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431544
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide?
The IUPAC name of 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide (CID 120561407) is 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide.
What is the SMILES notation for 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide?
The canonical SMILES for 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide is CC(N)CCC(=O)Nc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide?
The InChIKey is SBQCWXNKDPDWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(14)5-6-11(18)17-10-7-15-12(16-8-10)13(2,3)4/h7-9H,5-6,14H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide?
4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide has a molecular weight of 250.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-tert-butylpyrimidin-5-yl)pentanamide is sourced from PubChem (CID 120561407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).