2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide

C18H29N5O2 — CID 25120841

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1N
InChIInChI=1S/C18H29N5O2/c1-12-17(19)13(2)21-18(20-12)25-11-16(24)22(3)15-6-8-23(9-7-15)10-14-4-5-14/h14-15H,4-11,19H2,1-3H3
InChIKeyICGFZPQNNAPDFE-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.39
Rot. Bonds6

About 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 25120841) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide
PubChem CID25120841
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide
SMILESCc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1N
InChIInChI=1S/C18H29N5O2/c1-12-17(19)13(2)21-18(20-12)25-11-16(24)22(3)15-6-8-23(9-7-15)10-14-4-5-14/h14-15H,4-11,19H2,1-3H3
InChIKeyICGFZPQNNAPDFE-UHFFFAOYSA-N
XLogP1.39
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide (CID 25120841) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide is Cc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1N.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is ICGFZPQNNAPDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-12-17(19)13(2)21-18(20-12)25-11-16(24)22(3)15-6-8-23(9-7-15)10-14-4-5-14/h14-15H,4-11,19H2,1-3H3.
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-(cyclopropylmethyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 25120841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).