N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

C16H24N4 — CID 112855638

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESC1=C(CCNc2cc(N3CCCC3)ncn2)CCCC1
InChIInChI=1S/C16H24N4/c1-2-6-14(7-3-1)8-9-17-15-12-16(19-13-18-15)20-10-4-5-11-20/h6,12-13H,1-5,7-11H2,(H,17,18,19)
InChIKeyVBTUVWMUMVRYIV-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112855638) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112855638
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESC1=C(CCNc2cc(N3CCCC3)ncn2)CCCC1
InChIInChI=1S/C16H24N4/c1-2-6-14(7-3-1)8-9-17-15-12-16(19-13-18-15)20-10-4-5-11-20/h6,12-13H,1-5,7-11H2,(H,17,18,19)
InChIKeyVBTUVWMUMVRYIV-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 112854487
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112856595
4-[4-(cyclohexen-1-yl)butyl]-6-piperidin-1-ylpyrimidine
CID 170209728
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112856556
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342498
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
CID 112884620
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112856555
N-[2-(cyclohexen-1-yl)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112941997
2-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112856641
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112855638) is N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is C1=C(CCNc2cc(N3CCCC3)ncn2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is VBTUVWMUMVRYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-2-6-14(7-3-1)8-9-17-15-12-16(19-13-18-15)20-10-4-5-11-20/h6,12-13H,1-5,7-11H2,(H,17,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 272.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112855638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).