4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine

C12H20N4 — CID 79915809

IUPAC4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine
SMILESCC1CCC(Nc2ncncc2N)C(C)C1
InChIInChI=1S/C12H20N4/c1-8-3-4-11(9(2)5-8)16-12-10(13)6-14-7-15-12/h6-9,11H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyQVPQBLWQPCBYNV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds2

About 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine

4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine (PubChem CID 79915809) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine
PubChem CID79915809
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine
SMILESCC1CCC(Nc2ncncc2N)C(C)C1
InChIInChI=1S/C12H20N4/c1-8-3-4-11(9(2)5-8)16-12-10(13)6-14-7-15-12/h6-9,11H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyQVPQBLWQPCBYNV-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine (CID 79915809) is 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine is CC1CCC(Nc2ncncc2N)C(C)C1.
What is the InChIKey of 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine?
The InChIKey is QVPQBLWQPCBYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-3-4-11(9(2)5-8)16-12-10(13)6-14-7-15-12/h6-9,11H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine?
4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylcyclohexyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79915809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).