6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

C17H23N5O — CID 71564571

IUPAC6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESCOCc1cc(NC2CCCNC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-23-12-15-10-16(19-14-8-5-9-18-11-14)22-17(21-15)20-13-6-3-2-4-7-13/h2-4,6-7,10,14,18H,5,8-9,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyRVXNELHGIQIWSV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.53
Rot. Bonds6

About 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine

6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (PubChem CID 71564571) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
PubChem CID71564571
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESCOCc1cc(NC2CCCNC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-23-12-15-10-16(19-14-8-5-9-18-11-14)22-17(21-15)20-13-6-3-2-4-7-13/h2-4,6-7,10,14,18H,5,8-9,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyRVXNELHGIQIWSV-UHFFFAOYSA-N
XLogP2.53
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine (CID 71564571) is 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is COCc1cc(NC2CCCNC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The InChIKey is RVXNELHGIQIWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-12-15-10-16(19-14-8-5-9-18-11-14)22-17(21-15)20-13-6-3-2-4-7-13/h2-4,6-7,10,14,18H,5,8-9,11-12H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine has a molecular weight of 313.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-N-phenyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 71564571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).