(3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine

C15H26N4 — CID 141256076

IUPAC(3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(C2=NCN(CC3CCCC3)C=C2)C1
InChIInChI=1S/C15H26N4/c1-16-14-6-9-19(11-14)15-7-8-18(12-17-15)10-13-4-2-3-5-13/h7-8,13-14,16H,2-6,9-12H2,1H3/t14-/m1/s1
InChIKeyNZBMTCKHSOBGNH-CQSZACIVSA-N
MW262.40 g/mol
LogP1.66
Rot. Bonds3

About (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine

(3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine (PubChem CID 141256076) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
PubChem CID141256076
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
SMILESCN[C@@H]1CCN(C2=NCN(CC3CCCC3)C=C2)C1
InChIInChI=1S/C15H26N4/c1-16-14-6-9-19(11-14)15-7-8-18(12-17-15)10-13-4-2-3-5-13/h7-8,13-14,16H,2-6,9-12H2,1H3/t14-/m1/s1
InChIKeyNZBMTCKHSOBGNH-CQSZACIVSA-N
XLogP1.66
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine (CID 141256076) is (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine is CN[C@@H]1CCN(C2=NCN(CC3CCCC3)C=C2)C1.
What is the InChIKey of (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is NZBMTCKHSOBGNH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4/c1-16-14-6-9-19(11-14)15-7-8-18(12-17-15)10-13-4-2-3-5-13/h7-8,13-14,16H,2-6,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine?
(3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(cyclopentylmethyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 141256076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).