5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide

C12H17ClN4O — CID 114162665

IUPAC5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H17ClN4O/c13-9-7-11(15-6-2-1-3-10(14)18)17-12(16-9)8-4-5-8/h7-8H,1-6H2,(H2,14,18)(H,15,16,17)
InChIKeyJMOIWZZSFRGOSC-UHFFFAOYSA-N
MW268.75 g/mol
LogP2.07
Rot. Bonds7

About 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide

5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide (PubChem CID 114162665) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
PubChem CID114162665
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C12H17ClN4O/c13-9-7-11(15-6-2-1-3-10(14)18)17-12(16-9)8-4-5-8/h7-8H,1-6H2,(H2,14,18)(H,15,16,17)
InChIKeyJMOIWZZSFRGOSC-UHFFFAOYSA-N
XLogP2.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 52.07
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

5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide (CID 114162665) is 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide?
The InChIKey is JMOIWZZSFRGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-9-7-11(15-6-2-1-3-10(14)18)17-12(16-9)8-4-5-8/h7-8H,1-6H2,(H2,14,18)(H,15,16,17).
What are the key properties of 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide?
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide has a molecular weight of 268.75 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 114162665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).