4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine

C12H20N4 — CID 80842021

IUPAC4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine
SMILESCC1CC(C)CC(Nc2cc(N)ncn2)C1
InChIInChI=1S/C12H20N4/c1-8-3-9(2)5-10(4-8)16-12-6-11(13)14-7-15-12/h6-10H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyDTAMVESGJHKSAT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds2

About 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine

4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80842021) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80842021
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine
SMILESCC1CC(C)CC(Nc2cc(N)ncn2)C1
InChIInChI=1S/C12H20N4/c1-8-3-9(2)5-10(4-8)16-12-6-11(13)14-7-15-12/h6-10H,3-5H2,1-2H3,(H3,13,14,15,16)
InChIKeyDTAMVESGJHKSAT-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-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine (CID 80842021) is 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine is CC1CC(C)CC(Nc2cc(N)ncn2)C1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is DTAMVESGJHKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-3-9(2)5-10(4-8)16-12-6-11(13)14-7-15-12/h6-10H,3-5H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine?
4-N-(3,5-dimethylcyclohexyl)pyrimidine-4,6-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-(3,5-dimethylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80842021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).