1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide

C17H20N4O2 — CID 119340030

IUPAC1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide
SMILESCc1ccnc(Oc2ccc(NC(=O)C3(N)CCCC3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-8-11-19-16(20-12)23-14-6-4-13(5-7-14)21-15(22)17(18)9-2-3-10-17/h4-8,11H,2-3,9-10,18H2,1H3,(H,21,22)
InChIKeyILYLHDZTYUZPRK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds4

About 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide

1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide (PubChem CID 119340030) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide
PubChem CID119340030
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide
SMILESCc1ccnc(Oc2ccc(NC(=O)C3(N)CCCC3)cc2)n1
InChIInChI=1S/C17H20N4O2/c1-12-8-11-19-16(20-12)23-14-6-4-13(5-7-14)21-15(22)17(18)9-2-3-10-17/h4-8,11H,2-3,9-10,18H2,1H3,(H,21,22)
InChIKeyILYLHDZTYUZPRK-UHFFFAOYSA-N
XLogP2.79
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide (CID 119340030) is 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide is Cc1ccnc(Oc2ccc(NC(=O)C3(N)CCCC3)cc2)n1.
What is the InChIKey of 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide?
The InChIKey is ILYLHDZTYUZPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-8-11-19-16(20-12)23-14-6-4-13(5-7-14)21-15(22)17(18)9-2-3-10-17/h4-8,11H,2-3,9-10,18H2,1H3,(H,21,22).
What are the key properties of 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide?
1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).