6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine

C14H23N5 — CID 80819254

IUPAC6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCCC2C2CCCC2)nc(N)n1
InChIInChI=1S/C14H23N5/c1-16-12-9-13(18-14(15)17-12)19-8-4-7-11(19)10-5-2-3-6-10/h9-11H,2-8H2,1H3,(H3,15,16,17,18)
InChIKeyLONRYZUFBOANGX-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.26
Rot. Bonds3

About 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine

6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80819254) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80819254
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCCC2C2CCCC2)nc(N)n1
InChIInChI=1S/C14H23N5/c1-16-12-9-13(18-14(15)17-12)19-8-4-7-11(19)10-5-2-3-6-10/h9-11H,2-8H2,1H3,(H3,15,16,17,18)
InChIKeyLONRYZUFBOANGX-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine (CID 80819254) is 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(N2CCCC2C2CCCC2)nc(N)n1.
What is the InChIKey of 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is LONRYZUFBOANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-16-12-9-13(18-14(15)17-12)19-8-4-7-11(19)10-5-2-3-6-10/h9-11H,2-8H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine?
6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylpyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80819254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).