4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine

C15H26N4 — CID 80799819

IUPAC4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C2CCC(C)CC2)ncn1
InChIInChI=1S/C15H26N4/c1-4-9-16-14-10-15(18-11-17-14)19(3)13-7-5-12(2)6-8-13/h10-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyPAUJJDWJYYVJGE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.31
Rot. Bonds5

About 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine

4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80799819) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80799819
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C2CCC(C)CC2)ncn1
InChIInChI=1S/C15H26N4/c1-4-9-16-14-10-15(18-11-17-14)19(3)13-7-5-12(2)6-8-13/h10-13H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyPAUJJDWJYYVJGE-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine (CID 80799819) is 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)C2CCC(C)CC2)ncn1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PAUJJDWJYYVJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-9-16-14-10-15(18-11-17-14)19(3)13-7-5-12(2)6-8-13/h10-13H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.31, 5 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)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80799819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).