4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

C12H20N4 — CID 80761773

IUPAC4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CCCCC2)ncn1
InChIInChI=1S/C12H20N4/c1-13-11-8-12(15-9-14-11)16(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyMPBOXCMUQRNTQF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds3

About 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80761773) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80761773
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CCCCC2)ncn1
InChIInChI=1S/C12H20N4/c1-13-11-8-12(15-9-14-11)16(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyMPBOXCMUQRNTQF-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80761773) is 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)C2CCCCC2)ncn1.
What is the InChIKey of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is MPBOXCMUQRNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-13-11-8-12(15-9-14-11)16(2)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).