4-(pyrimidin-2-ylmethylamino)butanamide

C9H14N4O — CID 62700289

IUPAC4-(pyrimidin-2-ylmethylamino)butanamide
SMILESNC(=O)CCCNCc1ncccn1
InChIInChI=1S/C9H14N4O/c10-8(14)3-1-4-11-7-9-12-5-2-6-13-9/h2,5-6,11H,1,3-4,7H2,(H2,10,14)
InChIKeyPAJBONVYOVHJQP-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.17
Rot. Bonds6

About 4-(pyrimidin-2-ylmethylamino)butanamide

4-(pyrimidin-2-ylmethylamino)butanamide (PubChem CID 62700289) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(pyrimidin-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name4-(pyrimidin-2-ylmethylamino)butanamide
PubChem CID62700289
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(pyrimidin-2-ylmethylamino)butanamide
SMILESNC(=O)CCCNCc1ncccn1
InChIInChI=1S/C9H14N4O/c10-8(14)3-1-4-11-7-9-12-5-2-6-13-9/h2,5-6,11H,1,3-4,7H2,(H2,10,14)
InChIKeyPAJBONVYOVHJQP-UHFFFAOYSA-N
XLogP-0.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 114553106
6-iodo-N-(pyrimidin-2-ylmethyl)hexan-1-amine
CID 107845269
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
CID 62699736
4-[(4,6-dimethoxypyrimidin-5-yl)methylamino]butanamide
CID 60864470
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
5-(pyridin-4-ylmethylamino)pentanamide
CID 106233961
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
4-[(2,3-dihydroxyphenyl)methylamino]butanamide
CID 61319309
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-2-ylmethylamino)butanamide?
The IUPAC name of 4-(pyrimidin-2-ylmethylamino)butanamide (CID 62700289) is 4-(pyrimidin-2-ylmethylamino)butanamide.
What is the SMILES notation for 4-(pyrimidin-2-ylmethylamino)butanamide?
The canonical SMILES for 4-(pyrimidin-2-ylmethylamino)butanamide is NC(=O)CCCNCc1ncccn1.
What is the InChIKey of 4-(pyrimidin-2-ylmethylamino)butanamide?
The InChIKey is PAJBONVYOVHJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8(14)3-1-4-11-7-9-12-5-2-6-13-9/h2,5-6,11H,1,3-4,7H2,(H2,10,14).
What are the key properties of 4-(pyrimidin-2-ylmethylamino)butanamide?
4-(pyrimidin-2-ylmethylamino)butanamide has a molecular weight of 194.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-2-ylmethylamino)butanamide is sourced from PubChem (CID 62700289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).