5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine

C16H23N5O — CID 69477027

IUPAC5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2nc(N)ncc2CCCN(C)C)c1
InChIInChI=1S/C16H23N5O/c1-21(2)9-5-6-12-11-18-16(17)20-15(12)19-13-7-4-8-14(10-13)22-3/h4,7-8,10-11H,5-6,9H2,1-3H3,(H3,17,18,19,20)
InChIKeyZIEQQBXIFIWEJP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.31
Rot. Bonds7

About 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine

5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 69477027) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID69477027
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2nc(N)ncc2CCCN(C)C)c1
InChIInChI=1S/C16H23N5O/c1-21(2)9-5-6-12-11-18-16(17)20-15(12)19-13-7-4-8-14(10-13)22-3/h4,7-8,10-11H,5-6,9H2,1-3H3,(H3,17,18,19,20)
InChIKeyZIEQQBXIFIWEJP-UHFFFAOYSA-N
XLogP2.31
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine (CID 69477027) is 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is COc1cccc(Nc2nc(N)ncc2CCCN(C)C)c1.
What is the InChIKey of 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is ZIEQQBXIFIWEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-21(2)9-5-6-12-11-18-16(17)20-15(12)19-13-7-4-8-14(10-13)22-3/h4,7-8,10-11H,5-6,9H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine?
5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 301.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69477027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).