4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine

C17H30N4O — CID 82455919

IUPAC4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C(C)C)nc(NC2CCCCCC2)c1N
InChIInChI=1S/C17H30N4O/c1-4-11-22-17-14(18)16(20-15(21-17)12(2)3)19-13-9-7-5-6-8-10-13/h12-13H,4-11,18H2,1-3H3,(H,19,20,21)
InChIKeyHJLSGPUKTYKDOJ-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.11
Rot. Bonds6

About 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine

4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine (PubChem CID 82455919) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
PubChem CID82455919
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C(C)C)nc(NC2CCCCCC2)c1N
InChIInChI=1S/C17H30N4O/c1-4-11-22-17-14(18)16(20-15(21-17)12(2)3)19-13-9-7-5-6-8-10-13/h12-13H,4-11,18H2,1-3H3,(H,19,20,21)
InChIKeyHJLSGPUKTYKDOJ-UHFFFAOYSA-N
XLogP4.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
CID 82458504
6-butoxy-4-N-cycloheptyl-2-methylpyrimidine-4,5-diamine
CID 82455497
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
CID 82458510
2-N-cyclooctyl-6-propoxypyridine-2,5-diamine
CID 43261055
4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456242
6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455942
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
N-cyclopentyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001479
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455194

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine (CID 82455919) is 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(C(C)C)nc(NC2CCCCCC2)c1N.
What is the InChIKey of 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine?
The InChIKey is HJLSGPUKTYKDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-11-22-17-14(18)16(20-15(21-17)12(2)3)19-13-9-7-5-6-8-10-13/h12-13H,4-11,18H2,1-3H3,(H,19,20,21).
What are the key properties of 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine?
4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine has a molecular weight of 306.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82455919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).