6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

C17H24N4O — CID 44526612

IUPAC6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCc1cc(NCC)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-4-6-7-14-12-16(18-5-2)21-17(20-14)19-13-8-10-15(22-3)11-9-13/h8-12H,4-7H2,1-3H3,(H2,18,19,20,21)
InChIKeyFVPFBXJZDVXCHV-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.00
Rot. Bonds8

About 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 44526612) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID44526612
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCc1cc(NCC)nc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-4-6-7-14-12-16(18-5-2)21-17(20-14)19-13-8-10-15(22-3)11-9-13/h8-12H,4-7H2,1-3H3,(H2,18,19,20,21)
InChIKeyFVPFBXJZDVXCHV-UHFFFAOYSA-N
XLogP4.00
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-butyl-2-N-(4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 44526621
4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 94672765
4-N-dodecyl-2-N-phenyl-6-propylpyrimidine-2,4-diamine
CID 58693152
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374
2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80957134
4-methoxy-N-phenyl-6-propylpyrimidin-2-amine
CID 15615508
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
2-N-(4-methoxyphenyl)-6-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 117083512
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
3-N-ethyl-5-N-(4-methoxyphenyl)pyridine-3,5-diamine
CID 104532189
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 44526612) is 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is CCCCc1cc(NCC)nc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is FVPFBXJZDVXCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-6-7-14-12-16(18-5-2)21-17(20-14)19-13-8-10-15(22-3)11-9-13/h8-12H,4-7H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-N-ethyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44526612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).