2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine

C12H20N4 — CID 64740867

IUPAC2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
SMILESCC1CCC(Nc2ncc(N)cn2)CC1C
InChIInChI=1S/C12H20N4/c1-8-3-4-11(5-9(8)2)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyBZVCYRRSMHQBRU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds2

About 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine

2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine (PubChem CID 64740867) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
PubChem CID64740867
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine
SMILESCC1CCC(Nc2ncc(N)cn2)CC1C
InChIInChI=1S/C12H20N4/c1-8-3-4-11(5-9(8)2)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyBZVCYRRSMHQBRU-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 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine (CID 64740867) is 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine is CC1CCC(Nc2ncc(N)cn2)CC1C.
What is the InChIKey of 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine?
The InChIKey is BZVCYRRSMHQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-3-4-11(5-9(8)2)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine?
2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-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 2-N-(3,4-dimethylcyclohexyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 64740867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).