5-[(6-chloropyrimidin-4-yl)amino]pentanamide

C9H13ClN4O — CID 106239916

IUPAC5-[(6-chloropyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(Cl)ncn1
InChIInChI=1S/C9H13ClN4O/c10-7-5-9(14-6-13-7)12-4-2-1-3-8(11)15/h5-6H,1-4H2,(H2,11,15)(H,12,13,14)
InChIKeyLNGBADFXIMVCNH-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.20
Rot. Bonds6

About 5-[(6-chloropyrimidin-4-yl)amino]pentanamide

5-[(6-chloropyrimidin-4-yl)amino]pentanamide (PubChem CID 106239916) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-[(6-chloropyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(6-chloropyrimidin-4-yl)amino]pentanamide
PubChem CID106239916
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name5-[(6-chloropyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(Cl)ncn1
InChIInChI=1S/C9H13ClN4O/c10-7-5-9(14-6-13-7)12-4-2-1-3-8(11)15/h5-6H,1-4H2,(H2,11,15)(H,12,13,14)
InChIKeyLNGBADFXIMVCNH-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.20
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

2-[2-[(6-chloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240051
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
3-[(6-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178679
2-[(6-chloropyrimidin-4-yl)amino]acetic acid;hydrochloride
CID 134263966
3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
5-[(4-amino-5-methyl-2-pyridinyl)amino]pentanamide
CID 106234120
6-chloro-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 53410275
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
3-[(6-cyanopyrimidin-4-yl)amino]propanamide
CID 126973504

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloropyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(6-chloropyrimidin-4-yl)amino]pentanamide (CID 106239916) is 5-[(6-chloropyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(6-chloropyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(6-chloropyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1cc(Cl)ncn1.
What is the InChIKey of 5-[(6-chloropyrimidin-4-yl)amino]pentanamide?
The InChIKey is LNGBADFXIMVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-7-5-9(14-6-13-7)12-4-2-1-3-8(11)15/h5-6H,1-4H2,(H2,11,15)(H,12,13,14).
What are the key properties of 5-[(6-chloropyrimidin-4-yl)amino]pentanamide?
5-[(6-chloropyrimidin-4-yl)amino]pentanamide has a molecular weight of 228.68 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloropyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 106239916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).