N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

C11H19N3 — CID 126977134

IUPACN-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(NC2CC=CC2)NC1
InChIInChI=1S/C11H19N3/c1-11(2)7-12-10(13-8-11)14-9-5-3-4-6-9/h3-4,9H,5-8H2,1-2H3,(H2,12,13,14)
InChIKeyMGZLUTWPZUWHHP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.28
Rot. Bonds1

About N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (PubChem CID 126977134) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
PubChem CID126977134
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine
SMILESCC1(C)CN=C(NC2CC=CC2)NC1
InChIInChI=1S/C11H19N3/c1-11(2)7-12-10(13-8-11)14-9-5-3-4-6-9/h3-4,9H,5-8H2,1-2H3,(H2,12,13,14)
InChIKeyMGZLUTWPZUWHHP-UHFFFAOYSA-N
XLogP1.28
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopent-3-en-1-yl-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109768772
1-Cyclopent-3-en-1-yl-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109768773
1-Cyclopent-3-en-1-yl-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109770242
1-Cyclopent-3-en-1-yl-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109770243
1-Cyclopent-3-en-1-yl-2-(2,2-difluoroethyl)-3-ethylguanidine
CID 109770265
1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
1-Cyclohex-3-en-1-yl-2-ethylguanidine
CID 65679563
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
1-Cyclohex-3-en-1-yl-2-methylguanidine
CID 65679565
2-Cyclohex-3-en-1-yl-1-propan-2-ylguanidine
CID 65679772
1-Cyclohex-3-en-1-yl-2-propylguanidine
CID 65679978
2-Butyl-1-cyclopent-3-en-1-yl-3-ethylguanidine
CID 99714111

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The IUPAC name of N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine (CID 126977134) is N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine.
What is the SMILES notation for N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The canonical SMILES for N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is CC1(C)CN=C(NC2CC=CC2)NC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
The InChIKey is MGZLUTWPZUWHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2)7-12-10(13-8-11)14-9-5-3-4-6-9/h3-4,9H,5-8H2,1-2H3,(H2,12,13,14).
What are the key properties of N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine?
N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine is sourced from PubChem (CID 126977134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).