4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine

C17H24ClN7 — CID 163596242

IUPAC4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine
SMILESCNc1nc(Cl)c2nc(N3CCCCC3)c(N3CCCCC3)nc2n1
InChIInChI=1S/C17H24ClN7/c1-19-17-21-13(18)12-14(23-17)22-16(25-10-6-3-7-11-25)15(20-12)24-8-4-2-5-9-24/h2-11H2,1H3,(H,19,21,22,23)
InChIKeyGTRJENQOSJHAJA-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine

4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine (PubChem CID 163596242) has the molecular formula C17H24ClN7 and a molecular weight of 361.88 g/mol. Its IUPAC name is 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine
PubChem CID163596242
Molecular FormulaC17H24ClN7
Molecular Weight361.88 g/mol
Exact Mass361.18
IUPAC Name4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine
SMILESCNc1nc(Cl)c2nc(N3CCCCC3)c(N3CCCCC3)nc2n1
InChIInChI=1S/C17H24ClN7/c1-19-17-21-13(18)12-14(23-17)22-16(25-10-6-3-7-11-25)15(20-12)24-8-4-2-5-9-24/h2-11H2,1H3,(H,19,21,22,23)
InChIKeyGTRJENQOSJHAJA-UHFFFAOYSA-N
XLogP3.10
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine (CID 163596242) is 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine is CNc1nc(Cl)c2nc(N3CCCCC3)c(N3CCCCC3)nc2n1.
What is the InChIKey of 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine?
The InChIKey is GTRJENQOSJHAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7/c1-19-17-21-13(18)12-14(23-17)22-16(25-10-6-3-7-11-25)15(20-12)24-8-4-2-5-9-24/h2-11H2,1H3,(H,19,21,22,23).
What are the key properties of 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine?
4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine has a molecular weight of 361.88 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6,7-di(piperidin-1-yl)pteridin-2-amine is sourced from PubChem (CID 163596242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).