3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide

C11H17ClN4O2 — CID 114052877

IUPAC3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
SMILESCCCC(N)CC(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-4-7(13)5-9(17)15-11-14-8(12)6-10(16-11)18-2/h6-7H,3-5,13H2,1-2H3,(H,14,15,16,17)
InChIKeyUKHNSBZBLDATNE-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.59
Rot. Bonds6

About 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide

3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide (PubChem CID 114052877) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
PubChem CID114052877
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
SMILESCCCC(N)CC(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-3-4-7(13)5-9(17)15-11-14-8(12)6-10(16-11)18-2/h6-7H,3-5,13H2,1-2H3,(H,14,15,16,17)
InChIKeyUKHNSBZBLDATNE-UHFFFAOYSA-N
XLogP1.59
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
The IUPAC name of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide (CID 114052877) is 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide.
What is the SMILES notation for 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
The canonical SMILES for 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide is CCCC(N)CC(=O)Nc1nc(Cl)cc(OC)n1.
What is the InChIKey of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
The InChIKey is UKHNSBZBLDATNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-3-4-7(13)5-9(17)15-11-14-8(12)6-10(16-11)18-2/h6-7H,3-5,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide?
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide has a molecular weight of 272.74 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide is sourced from PubChem (CID 114052877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).