2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C18H26N4O — CID 112900705

IUPAC2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nccc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H26N4O/c1-5-6-13-22(4)18-19-12-11-17(21-18)20-15-7-9-16(10-8-15)23-14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,19,20,21)
InChIKeyPHENBKQQCIIERF-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.24
Rot. Bonds8

About 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112900705) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID112900705
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCCCCN(C)c1nccc(Nc2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C18H26N4O/c1-5-6-13-22(4)18-19-12-11-17(21-18)20-15-7-9-16(10-8-15)23-14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,19,20,21)
InChIKeyPHENBKQQCIIERF-UHFFFAOYSA-N
XLogP4.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925722
4-N-butan-2-yl-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112883602
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine
CID 80759443
6-ethoxy-2-N-(4-propan-2-yloxyphenyl)pyridine-2,5-diamine
CID 43261775
2-N-(2-propan-2-yloxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905145
2-N-(2,6-dichlorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905213
2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112885330
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
CID 16910832

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 112900705) is 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CCCCN(C)c1nccc(Nc2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is PHENBKQQCIIERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-5-6-13-22(4)18-19-12-11-17(21-18)20-15-7-9-16(10-8-15)23-14(2)3/h7-12,14H,5-6,13H2,1-4H3,(H,19,20,21).
What are the key properties of 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112900705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).