2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide

C10H13ClN4O2 — CID 114052914

IUPAC2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(Cl)nc(NC(=O)CC2CNC2)n1
InChIInChI=1S/C10H13ClN4O2/c1-17-9-3-7(11)13-10(15-9)14-8(16)2-6-4-12-5-6/h3,6,12H,2,4-5H2,1H3,(H,13,14,15,16)
InChIKeyNDXWSRKULJWUIW-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.69
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide

2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide (PubChem CID 114052914) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
PubChem CID114052914
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(Cl)nc(NC(=O)CC2CNC2)n1
InChIInChI=1S/C10H13ClN4O2/c1-17-9-3-7(11)13-10(15-9)14-8(16)2-6-4-12-5-6/h3,6,12H,2,4-5H2,1H3,(H,13,14,15,16)
InChIKeyNDXWSRKULJWUIW-UHFFFAOYSA-N
XLogP0.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(ethylamino)propanamide
CID 114052879
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methoxy-3-methylbutanamide
CID 114053516
2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 107625783
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)hexanamide
CID 114052877
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 114053517
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-(triazol-1-yl)propanamide
CID 114053506
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methoxypropanamide
CID 106114275
4,5-dichloro-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114053534
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
CID 17221317
N-(4-chloro-6-methylpyrimidin-2-yl)-2-morpholin-2-ylacetamide
CID 114052853
N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107600136

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide (CID 114052914) is 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide is COc1cc(Cl)nc(NC(=O)CC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide?
The InChIKey is NDXWSRKULJWUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-17-9-3-7(11)13-10(15-9)14-8(16)2-6-4-12-5-6/h3,6,12H,2,4-5H2,1H3,(H,13,14,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide?
2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide has a molecular weight of 256.69 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide is sourced from PubChem (CID 114052914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).