6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine

C13H23N5 — CID 83027527

IUPAC6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NN2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-3-7-14-13-15-11(2)10-12(16-13)17-18-8-5-4-6-9-18/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyODJWXSUMCPSTGZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.42
Rot. Bonds5

About 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 83027527) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine
PubChem CID83027527
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NN2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-3-7-14-13-15-11(2)10-12(16-13)17-18-8-5-4-6-9-18/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyODJWXSUMCPSTGZ-UHFFFAOYSA-N
XLogP2.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine (CID 83027527) is 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NN2CCCCC2)n1.
What is the InChIKey of 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is ODJWXSUMCPSTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-7-14-13-15-11(2)10-12(16-13)17-18-8-5-4-6-9-18/h10H,3-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-piperidin-1-yl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 83027527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).