2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine

C11H18N4 — CID 61145789

IUPAC2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine
SMILESCC1CCCC(Nc2ncc(N)cn2)C1
InChIInChI=1S/C11H18N4/c1-8-3-2-4-10(5-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyBFYGCAVHOXTVAY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds2

About 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine

2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine (PubChem CID 61145789) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine
PubChem CID61145789
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine
SMILESCC1CCCC(Nc2ncc(N)cn2)C1
InChIInChI=1S/C11H18N4/c1-8-3-2-4-10(5-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyBFYGCAVHOXTVAY-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine (CID 61145789) is 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine is CC1CCCC(Nc2ncc(N)cn2)C1.
What is the InChIKey of 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine?
The InChIKey is BFYGCAVHOXTVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-3-2-4-10(5-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine?
2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylcyclohexyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 61145789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).