N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C14H22N4 — CID 72907175

IUPACN-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESc1cc(NCC2CCN(C3CCCC3)C2)ncn1
InChIInChI=1S/C14H22N4/c1-2-4-13(3-1)18-8-6-12(10-18)9-16-14-5-7-15-11-17-14/h5,7,11-13H,1-4,6,8-10H2,(H,15,16,17)
InChIKeyCXBFEGNOKLYTER-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.15
Rot. Bonds4

About N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 72907175) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID72907175
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESc1cc(NCC2CCN(C3CCCC3)C2)ncn1
InChIInChI=1S/C14H22N4/c1-2-4-13(3-1)18-8-6-12(10-18)9-16-14-5-7-15-11-17-14/h5,7,11-13H,1-4,6,8-10H2,(H,15,16,17)
InChIKeyCXBFEGNOKLYTER-UHFFFAOYSA-N
XLogP2.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 72907175) is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is c1cc(NCC2CCN(C3CCCC3)C2)ncn1.
What is the InChIKey of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is CXBFEGNOKLYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-4-13(3-1)18-8-6-12(10-18)9-16-14-5-7-15-11-17-14/h5,7,11-13H,1-4,6,8-10H2,(H,15,16,17).
What are the key properties of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72907175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).