4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine

C15H27N5O — CID 107163063

IUPAC4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(NCC2(C)CCN(C)CC2)c1N
InChIInChI=1S/C15H27N5O/c1-4-9-21-14-12(16)13(18-11-19-14)17-10-15(2)5-7-20(3)8-6-15/h11H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyUZYGJCXUZRCHHG-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.99
Rot. Bonds6

About 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine

4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine (PubChem CID 107163063) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine
PubChem CID107163063
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1ncnc(NCC2(C)CCN(C)CC2)c1N
InChIInChI=1S/C15H27N5O/c1-4-9-21-14-12(16)13(18-11-19-14)17-10-15(2)5-7-20(3)8-6-15/h11H,4-10,16H2,1-3H3,(H,17,18,19)
InChIKeyUZYGJCXUZRCHHG-UHFFFAOYSA-N
XLogP1.99
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine (CID 107163063) is 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine is CCCOc1ncnc(NCC2(C)CCN(C)CC2)c1N.
What is the InChIKey of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine?
The InChIKey is UZYGJCXUZRCHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-4-9-21-14-12(16)13(18-11-19-14)17-10-15(2)5-7-20(3)8-6-15/h11H,4-10,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine?
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine has a molecular weight of 293.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 107163063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).