N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine

C14H22N4 — CID 117211581

IUPACN'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
SMILESNCCNc1cnc(C2CC2)nc1C1CCCC1
InChIInChI=1S/C14H22N4/c15-7-8-16-12-9-17-14(11-5-6-11)18-13(12)10-3-1-2-4-10/h9-11,16H,1-8,15H2
InChIKeyBFXVDLWLKOFLTR-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.38
Rot. Bonds5

About N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine

N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine (PubChem CID 117211581) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
PubChem CID117211581
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine
SMILESNCCNc1cnc(C2CC2)nc1C1CCCC1
InChIInChI=1S/C14H22N4/c15-7-8-16-12-9-17-14(11-5-6-11)18-13(12)10-3-1-2-4-10/h9-11,16H,1-8,15H2
InChIKeyBFXVDLWLKOFLTR-UHFFFAOYSA-N
XLogP2.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine (CID 117211581) is N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine is NCCNc1cnc(C2CC2)nc1C1CCCC1.
What is the InChIKey of N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine?
The InChIKey is BFXVDLWLKOFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-7-8-16-12-9-17-14(11-5-6-11)18-13(12)10-3-1-2-4-10/h9-11,16H,1-8,15H2.
What are the key properties of N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine?
N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclopentyl-2-cyclopropylpyrimidin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 117211581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).