4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine

C16H23N5O2 — CID 19142796

IUPAC4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2cc(OC)ccc2OC)c1N
InChIInChI=1S/C16H23N5O2/c1-5-10(2)20-15-14(17)16(19-9-18-15)21-12-8-11(22-3)6-7-13(12)23-4/h6-10H,5,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyLSOIBRVPUUXDQG-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.03
Rot. Bonds7

About 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine

4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19142796) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19142796
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2cc(OC)ccc2OC)c1N
InChIInChI=1S/C16H23N5O2/c1-5-10(2)20-15-14(17)16(19-9-18-15)21-12-8-11(22-3)6-7-13(12)23-4/h6-10H,5,17H2,1-4H3,(H2,18,19,20,21)
InChIKeyLSOIBRVPUUXDQG-UHFFFAOYSA-N
XLogP3.03
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-N-(2,4-dichlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142724
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19154145
4-N-butan-2-yl-6-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546528
4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19142691
6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19142735
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine (CID 19142796) is 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine is CCC(C)Nc1ncnc(Nc2cc(OC)ccc2OC)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is LSOIBRVPUUXDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-10(2)20-15-14(17)16(19-9-18-15)21-12-8-11(22-3)6-7-13(12)23-4/h6-10H,5,17H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 317.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).