4-amino-N-(2-chloropyrimidin-4-yl)butanamide

C8H11ClN4O — CID 116795070

IUPAC4-amino-N-(2-chloropyrimidin-4-yl)butanamide
SMILESNCCCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c9-8-11-5-3-6(13-8)12-7(14)2-1-4-10/h3,5H,1-2,4,10H2,(H,11,12,13,14)
InChIKeyVHVHKEALTCQTHX-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.81
Rot. Bonds4

About 4-amino-N-(2-chloropyrimidin-4-yl)butanamide

4-amino-N-(2-chloropyrimidin-4-yl)butanamide (PubChem CID 116795070) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-amino-N-(2-chloropyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-chloropyrimidin-4-yl)butanamide
PubChem CID116795070
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name4-amino-N-(2-chloropyrimidin-4-yl)butanamide
SMILESNCCCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c9-8-11-5-3-6(13-8)12-7(14)2-1-4-10/h3,5H,1-2,4,10H2,(H,11,12,13,14)
InChIKeyVHVHKEALTCQTHX-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461
1-(2-aminoethyl)-N-(2-chloropyrimidin-4-yl)imidazole-4-carboxamide
CID 107499822
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
4-amino-N-(1,2-oxazol-3-yl)butanamide
CID 62903598
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
4-amino-N-(9H-pyrrolo[3,2-h]quinolin-8-yl)butanamide
CID 137225030
2-amino-N-(2-chloropyrimidin-4-yl)pent-4-ynamide
CID 116794976
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)butanamide?
The IUPAC name of 4-amino-N-(2-chloropyrimidin-4-yl)butanamide (CID 116795070) is 4-amino-N-(2-chloropyrimidin-4-yl)butanamide.
What is the SMILES notation for 4-amino-N-(2-chloropyrimidin-4-yl)butanamide?
The canonical SMILES for 4-amino-N-(2-chloropyrimidin-4-yl)butanamide is NCCCC(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 4-amino-N-(2-chloropyrimidin-4-yl)butanamide?
The InChIKey is VHVHKEALTCQTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-8-11-5-3-6(13-8)12-7(14)2-1-4-10/h3,5H,1-2,4,10H2,(H,11,12,13,14).
What are the key properties of 4-amino-N-(2-chloropyrimidin-4-yl)butanamide?
4-amino-N-(2-chloropyrimidin-4-yl)butanamide has a molecular weight of 214.66 g/mol, XLogP of 0.81, 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-chloropyrimidin-4-yl)butanamide is sourced from PubChem (CID 116795070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).