2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine

C20H29N5O — CID 44526622

IUPAC2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1cc(NC2CCN(C)CC2)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H29N5O/c1-4-6-16-14-19(21-15-9-11-25(2)12-10-15)24-20(22-16)23-17-7-5-8-18(13-17)26-3/h5,7-8,13-15H,4,6,9-12H2,1-3H3,(H2,21,22,23,24)
InChIKeyYUFGMLAVYKOQFX-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.69
Rot. Bonds7

About 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine

2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine (PubChem CID 44526622) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
PubChem CID44526622
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine
SMILESCCCc1cc(NC2CCN(C)CC2)nc(Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H29N5O/c1-4-6-16-14-19(21-15-9-11-25(2)12-10-15)24-20(22-16)23-17-7-5-8-18(13-17)26-3/h5,7-8,13-15H,4,6,9-12H2,1-3H3,(H2,21,22,23,24)
InChIKeyYUFGMLAVYKOQFX-UHFFFAOYSA-N
XLogP3.69
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine (CID 44526622) is 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine is CCCc1cc(NC2CCN(C)CC2)nc(Nc2cccc(OC)c2)n1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
The InChIKey is YUFGMLAVYKOQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-6-16-14-19(21-15-9-11-25(2)12-10-15)24-20(22-16)23-17-7-5-8-18(13-17)26-3/h5,7-8,13-15H,4,6,9-12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine?
2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-4-N-(1-methylpiperidin-4-yl)-6-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 44526622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).