4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine

C16H28N4 — CID 80827059

IUPAC4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)C2CCCCC2)ncn1
InChIInChI=1S/C16H28N4/c1-3-10-17-15-11-16(19-12-18-15)20-14(4-2)13-8-6-5-7-9-13/h11-14H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyNBDQYCYFBQLVHG-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.07
Rot. Bonds7

About 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80827059) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80827059
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC(CC)C2CCCCC2)ncn1
InChIInChI=1S/C16H28N4/c1-3-10-17-15-11-16(19-12-18-15)20-14(4-2)13-8-6-5-7-9-13/h11-14H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyNBDQYCYFBQLVHG-UHFFFAOYSA-N
XLogP4.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexylpropyl)-6-ethylpyrimidin-4-amine
CID 63541689
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(1-cyclohexylethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80826360
1-cyclohexyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 113283795
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
2-N-(1-cyclohexylpropyl)pyridine-2,4-diamine
CID 55069644
4-N-hexan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80817415
4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80781938
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-(1-cyclohexylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80801837
4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80783948

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine (CID 80827059) is 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC(CC)C2CCCCC2)ncn1.
What is the InChIKey of 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NBDQYCYFBQLVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-10-17-15-11-16(19-12-18-15)20-14(4-2)13-8-6-5-7-9-13/h11-14H,3-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclohexylpropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80827059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).