4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

C17H23N5O — CID 22543846

IUPAC4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCOc1cccc(Nc2ncnc(N3CCC(C)CC3)c2N)c1
InChIInChI=1S/C17H23N5O/c1-12-6-8-22(9-7-12)17-15(18)16(19-11-20-17)21-13-4-3-5-14(10-13)23-2/h3-5,10-12H,6-9,18H2,1-2H3,(H,19,20,21)
InChIKeyMCRYMPLCDGOWDE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.05
Rot. Bonds4

About 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 22543846) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID22543846
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCOc1cccc(Nc2ncnc(N3CCC(C)CC3)c2N)c1
InChIInChI=1S/C17H23N5O/c1-12-6-8-22(9-7-12)17-15(18)16(19-11-20-17)21-13-4-3-5-14(10-13)23-2/h3-5,10-12H,6-9,18H2,1-2H3,(H,19,20,21)
InChIKeyMCRYMPLCDGOWDE-UHFFFAOYSA-N
XLogP3.05
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 22543846) is 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is COc1cccc(Nc2ncnc(N3CCC(C)CC3)c2N)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is MCRYMPLCDGOWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-6-8-22(9-7-12)17-15(18)16(19-11-20-17)21-13-4-3-5-14(10-13)23-2/h3-5,10-12H,6-9,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 313.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22543846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).