2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide

C12H18N4O3 — CID 107625783

IUPAC2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(OC)nc(NC(=O)CNCC2CC2)n1
InChIInChI=1S/C12H18N4O3/c1-18-10-5-11(19-2)16-12(15-10)14-9(17)7-13-6-8-3-4-8/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,15,16,17)
InChIKeyAKRSSMXLNYGSRJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.43
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide

2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide (PubChem CID 107625783) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
PubChem CID107625783
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
SMILESCOc1cc(OC)nc(NC(=O)CNCC2CC2)n1
InChIInChI=1S/C12H18N4O3/c1-18-10-5-11(19-2)16-12(15-10)14-9(17)7-13-6-8-3-4-8/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,15,16,17)
InChIKeyAKRSSMXLNYGSRJ-UHFFFAOYSA-N
XLogP0.43
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
2-(cyclopropylmethylamino)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114387565
2-anilino-N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 103606554
2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 107629128
N-(4-methoxy-6-methylpyrimidin-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107600136
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
2-(azetidin-3-yl)-N-(4-chloro-6-methoxypyrimidin-2-yl)acetamide
CID 114052914
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide;hydrochloride
CID 17221317
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide (CID 107625783) is 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide is COc1cc(OC)nc(NC(=O)CNCC2CC2)n1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
The InChIKey is AKRSSMXLNYGSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-10-5-11(19-2)16-12(15-10)14-9(17)7-13-6-8-3-4-8/h5,8,13H,3-4,6-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide?
2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(4,6-dimethoxypyrimidin-2-yl)acetamide is sourced from PubChem (CID 107625783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).