N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine

C17H32N4O — CID 82457973

IUPACN',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
SMILESCCN(CC)CCCCNc1cc(OC)nc(CC(C)C)n1
InChIInChI=1S/C17H32N4O/c1-6-21(7-2)11-9-8-10-18-15-13-17(22-5)20-16(19-15)12-14(3)4/h13-14H,6-12H2,1-5H3,(H,18,19,20)
InChIKeyUVLRPLPFOKWIAX-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.22
Rot. Bonds11

About N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine

N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine (PubChem CID 82457973) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
PubChem CID82457973
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC NameN',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
SMILESCCN(CC)CCCCNc1cc(OC)nc(CC(C)C)n1
InChIInChI=1S/C17H32N4O/c1-6-21(7-2)11-9-8-10-18-15-13-17(22-5)20-16(19-15)12-14(3)4/h13-14H,6-12H2,1-5H3,(H,18,19,20)
InChIKeyUVLRPLPFOKWIAX-UHFFFAOYSA-N
XLogP3.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.22
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',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82457964
6-methoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82457982
6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82457974
6-ethoxy-2-(2-methylpropyl)-N-pentylpyrimidin-4-amine
CID 82458025
N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456798
6-methoxy-N-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82457957
6-methoxy-2-(2-methylpropyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 82457971
N-(2-ethyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453730
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
6-butoxy-N-ethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458095
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine?
The IUPAC name of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine (CID 82457973) is N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine.
What is the SMILES notation for N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine?
The canonical SMILES for N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine is CCN(CC)CCCCNc1cc(OC)nc(CC(C)C)n1.
What is the InChIKey of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine?
The InChIKey is UVLRPLPFOKWIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-6-21(7-2)11-9-8-10-18-15-13-17(22-5)20-16(19-15)12-14(3)4/h13-14H,6-12H2,1-5H3,(H,18,19,20).
What are the key properties of N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine?
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine has a molecular weight of 308.47 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine is sourced from PubChem (CID 82457973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).