4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

C22H26N4O — CID 112909003

IUPAC4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1cc(C)nc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C22H26N4O/c1-4-16(2)23-21-14-17(3)24-22(26-21)25-19-10-12-20(13-11-19)27-15-18-8-6-5-7-9-18/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)
InChIKeySYCIYXKEIUJSBT-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.32
Rot. Bonds8

About 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine

4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112909003) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112909003
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1cc(C)nc(Nc2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C22H26N4O/c1-4-16(2)23-21-14-17(3)24-22(26-21)25-19-10-12-20(13-11-19)27-15-18-8-6-5-7-9-18/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26)
InChIKeySYCIYXKEIUJSBT-UHFFFAOYSA-N
XLogP5.32
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
2-N-(4-bromophenyl)-4-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112908969
2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112911654
4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908956
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909035
5-N-butan-2-yl-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940808
6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854646
6-methyl-4-N-(3-methylbutyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112925219
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 124750208

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine (CID 112909003) is 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is CCC(C)Nc1cc(C)nc(Nc2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is SYCIYXKEIUJSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-16(2)23-21-14-17(3)24-22(26-21)25-19-10-12-20(13-11-19)27-15-18-8-6-5-7-9-18/h5-14,16H,4,15H2,1-3H3,(H2,23,24,25,26).
What are the key properties of 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine?
4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-methyl-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112909003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).