4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine

C14H24N4 — CID 80784186

IUPAC4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCCCC2)ncn1
InChIInChI=1S/C14H24N4/c1-2-8-15-13-9-14(18-11-17-13)16-10-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H2,15,16,17,18)
InChIKeyUHXGZYGQWPEZKF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds6

About 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80784186) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80784186
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCCCC2)ncn1
InChIInChI=1S/C14H24N4/c1-2-8-15-13-9-14(18-11-17-13)16-10-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H2,15,16,17,18)
InChIKeyUHXGZYGQWPEZKF-UHFFFAOYSA-N
XLogP3.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80827059
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
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-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80784186) is 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCCCC2)ncn1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UHXGZYGQWPEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-8-15-13-9-14(18-11-17-13)16-10-12-6-4-3-5-7-12/h9,11-12H,2-8,10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80784186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).