1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine

C11H21N3 — CID 58717203

IUPAC1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1CCC(N2CCCN=C2N)CC1
InChIInChI=1S/C11H21N3/c1-9-3-5-10(6-4-9)14-8-2-7-13-11(14)12/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyVDTZXNHMLKMVKJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.59
Rot. Bonds1

About 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine

1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 58717203) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID58717203
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC1CCC(N2CCCN=C2N)CC1
InChIInChI=1S/C11H21N3/c1-9-3-5-10(6-4-9)14-8-2-7-13-11(14)12/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyVDTZXNHMLKMVKJ-UHFFFAOYSA-N
XLogP1.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 58717203) is 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine is CC1CCC(N2CCCN=C2N)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is VDTZXNHMLKMVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-3-5-10(6-4-9)14-8-2-7-13-11(14)12/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 58717203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).