N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine

C17H23N5O — CID 44591739

IUPACN-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
SMILESc1cc(-c2cn[nH]c2C2CCCOC2)nc(NC2CCCC2)n1
InChIInChI=1S/C17H23N5O/c1-2-6-13(5-1)20-17-18-8-7-15(21-17)14-10-19-22-16(14)12-4-3-9-23-11-12/h7-8,10,12-13H,1-6,9,11H2,(H,19,22)(H,18,20,21)
InChIKeyNHSDXYBXQGQSRA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.12
Rot. Bonds4

About N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine

N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 44591739) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
PubChem CID44591739
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
SMILESc1cc(-c2cn[nH]c2C2CCCOC2)nc(NC2CCCC2)n1
InChIInChI=1S/C17H23N5O/c1-2-6-13(5-1)20-17-18-8-7-15(21-17)14-10-19-22-16(14)12-4-3-9-23-11-12/h7-8,10,12-13H,1-6,9,11H2,(H,19,22)(H,18,20,21)
InChIKeyNHSDXYBXQGQSRA-UHFFFAOYSA-N
XLogP3.12
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine (CID 44591739) is N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine is c1cc(-c2cn[nH]c2C2CCCOC2)nc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is NHSDXYBXQGQSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-6-13(5-1)20-17-18-8-7-15(21-17)14-10-19-22-16(14)12-4-3-9-23-11-12/h7-8,10,12-13H,1-6,9,11H2,(H,19,22)(H,18,20,21).
What are the key properties of N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[5-(oxan-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 44591739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).