N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

C16H30N4O — CID 82456798

IUPACN-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(OC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-20(8-2)11-9-10-17-13-12-14(21-6)19-15(18-13)16(3,4)5/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyDORAQJJFSDLZNW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.93
Rot. Bonds8

About N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 82456798) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID82456798
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(OC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H30N4O/c1-7-20(8-2)11-9-10-17-13-12-14(21-6)19-15(18-13)16(3,4)5/h12H,7-11H2,1-6H3,(H,17,18,19)
InChIKeyDORAQJJFSDLZNW-UHFFFAOYSA-N
XLogP2.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.93
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

2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
N-(2-tert-butyl-6-ethoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456837
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]butane-1,4-diamine
CID 82457973
2-tert-butyl-6-[2-(diethylamino)ethoxy]-N-methylpyrimidin-4-amine
CID 80963364
2-tert-butyl-6-methoxy-N-(2-methylpropyl)pyrimidin-4-amine
CID 82456804
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
N,2-ditert-butyl-6-methoxypyrimidin-4-amine
CID 82456784
N',N'-diethyl-N-[6-methoxy-2-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82457964
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 82456798) is N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1cc(OC)nc(C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is DORAQJJFSDLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-7-20(8-2)11-9-10-17-13-12-14(21-6)19-15(18-13)16(3,4)5/h12H,7-11H2,1-6H3,(H,17,18,19).
What are the key properties of N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-methoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 82456798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).