N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine

C17H30N4O — CID 82456508

IUPACN-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCCCOc1cc(NCCN(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C17H30N4O/c1-4-7-12-22-16-13-15(18-10-11-21(5-2)6-3)19-17(20-16)14-8-9-14/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyVJPCGZBNIQVAQC-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.29
Rot. Bonds11

About N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine

N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 82456508) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID82456508
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCCCOc1cc(NCCN(CC)CC)nc(C2CC2)n1
InChIInChI=1S/C17H30N4O/c1-4-7-12-22-16-13-15(18-10-11-21(5-2)6-3)19-17(20-16)14-8-9-14/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyVJPCGZBNIQVAQC-UHFFFAOYSA-N
XLogP3.29
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
N-(6-bromo-2-cyclopropylpyrimidin-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114133171
6-butoxy-2-cyclopropyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456522
6-butoxy-2-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 82456516
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (CID 82456508) is N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is CCCCOc1cc(NCCN(CC)CC)nc(C2CC2)n1.
What is the InChIKey of N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is VJPCGZBNIQVAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-4-7-12-22-16-13-15(18-10-11-21(5-2)6-3)19-17(20-16)14-8-9-14/h13-14H,4-12H2,1-3H3,(H,18,19,20).
What are the key properties of N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 82456508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).