2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine

C17H30N4O — CID 82458510

IUPAC2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CCCCC2)nc(NCC(C)C)c1N
InChIInChI=1S/C17H30N4O/c1-4-10-22-17-14(18)16(19-11-12(2)3)20-15(21-17)13-8-6-5-7-9-13/h12-13H,4-11,18H2,1-3H3,(H,19,20,21)
InChIKeySYISFUYINZNSJB-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.96
Rot. Bonds7

About 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine

2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82458510) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82458510
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CCCCC2)nc(NCC(C)C)c1N
InChIInChI=1S/C17H30N4O/c1-4-10-22-17-14(18)16(19-11-12(2)3)20-15(21-17)13-8-6-5-7-9-13/h12-13H,4-11,18H2,1-3H3,(H,19,20,21)
InChIKeySYISFUYINZNSJB-UHFFFAOYSA-N
XLogP3.96
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine (CID 82458510) is 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(C2CCCCC2)nc(NCC(C)C)c1N.
What is the InChIKey of 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is SYISFUYINZNSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-10-22-17-14(18)16(19-11-12(2)3)20-15(21-17)13-8-6-5-7-9-13/h12-13H,4-11,18H2,1-3H3,(H,19,20,21).
What are the key properties of 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine?
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 306.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82458510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).