4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine

C12H20N4 — CID 79918976

IUPAC4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine
SMILESCC1CCC(N(C)c2ncncc2N)CC1
InChIInChI=1S/C12H20N4/c1-9-3-5-10(6-4-9)16(2)12-11(13)7-14-8-15-12/h7-10H,3-6,13H2,1-2H3
InChIKeyNCWOTJQMCHYYNL-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.07
Rot. Bonds2

About 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine

4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine (PubChem CID 79918976) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine
PubChem CID79918976
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine
SMILESCC1CCC(N(C)c2ncncc2N)CC1
InChIInChI=1S/C12H20N4/c1-9-3-5-10(6-4-9)16(2)12-11(13)7-14-8-15-12/h7-10H,3-6,13H2,1-2H3
InChIKeyNCWOTJQMCHYYNL-UHFFFAOYSA-N
XLogP2.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine (CID 79918976) is 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine is CC1CCC(N(C)c2ncncc2N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine?
The InChIKey is NCWOTJQMCHYYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-3-5-10(6-4-9)16(2)12-11(13)7-14-8-15-12/h7-10H,3-6,13H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine?
4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).