N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

C14H21ClN4O — CID 119565068

IUPACN-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NC2(CN)CCCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)12-17-7-10(15)11(18-12)13(20)19-14(8-16)5-3-4-6-14/h7,9H,3-6,8,16H2,1-2H3,(H,19,20)
InChIKeyBRNQCNUWQBULFE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.25
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 119565068) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID119565068
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NC2(CN)CCCC2)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)12-17-7-10(15)11(18-12)13(20)19-14(8-16)5-3-4-6-14/h7,9H,3-6,8,16H2,1-2H3,(H,19,20)
InChIKeyBRNQCNUWQBULFE-UHFFFAOYSA-N
XLogP2.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (CID 119565068) is N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NC2(CN)CCCC2)n1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is BRNQCNUWQBULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-9(2)12-17-7-10(15)11(18-12)13(20)19-14(8-16)5-3-4-6-14/h7,9H,3-6,8,16H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 119565068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).