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

C15H26N4 — CID 80828903

IUPAC4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCC(C)CC2)ncn1
InChIInChI=1S/C15H26N4/c1-3-8-16-14-9-15(19-11-18-14)17-10-13-6-4-12(2)5-7-13/h9,11-13H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyJVRSINFEYNJDFV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.54
Rot. Bonds6

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

4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80828903) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80828903
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCC(C)CC2)ncn1
InChIInChI=1S/C15H26N4/c1-3-8-16-14-9-15(19-11-18-14)17-10-13-6-4-12(2)5-7-13/h9,11-13H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyJVRSINFEYNJDFV-UHFFFAOYSA-N
XLogP3.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 114098683
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80828903) is 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCC(C)CC2)ncn1.
What is the InChIKey of 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JVRSINFEYNJDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-8-16-14-9-15(19-11-18-14)17-10-13-6-4-12(2)5-7-13/h9,11-13H,3-8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine?
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80828903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).