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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Related Compounds

2-Methyl-4-(pyrrolidin-3-yl)pyrimidine
CID 80503403
N-{[1-(Dimethylamino)cyclopentyl]methyl}-6-isopropylpyrimidin-4-amine
CID 72838664
2-(4-Cyclopropylpyrimidin-2-yl)ethan-1-amine
CID 63318872
1-(2-Methylpyrimidin-4-yl)cyclopropan-1-amine
CID 82594692
6-cyclopropyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
CID 138038004
6-propan-2-yl-2-(trifluoromethyl)-7H-pyrrolo[3,2-d]pyrimidine
CID 58182688
4-Cyclopropyl-2-(trifluoromethyl)pyrimidin-5-amine
CID 129975099
4-Isopropyl-2-(trifluoromethyl)pyrimidin-5-amine
CID 131424352
6-(3,3-Difluorocyclopentyl)-2-(3,3-difluorocyclopentyl)imino-6-[2-(trifluoromethyl)pyrimidin-4-yl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 136981920
4-(3-Methylbutyl)-2-(trifluoromethyl)pyrimidin-5-amine
CID 82390111
4-(2-Cyclopropylethyl)-2-(trifluoromethyl)pyrimidin-5-amine
CID 82390720
(4-Cyclopropyl-5-fluoropyrimidin-2-yl)methanamine
CID 84038753

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).