2,6-dichloro-4,7-di(piperidin-1-yl)pteridine

C16H20Cl2N6 — CID 13371662

IUPAC2,6-dichloro-4,7-di(piperidin-1-yl)pteridine
SMILESClc1nc(N2CCCCC2)c2nc(Cl)c(N3CCCCC3)nc2n1
InChIInChI=1S/C16H20Cl2N6/c17-12-15(24-9-5-2-6-10-24)20-13-11(19-12)14(22-16(18)21-13)23-7-3-1-4-8-23/h1-10H2
InChIKeyWFJIEXVIJLOOAS-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.71
Rot. Bonds2

About 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine

2,6-dichloro-4,7-di(piperidin-1-yl)pteridine (PubChem CID 13371662) has the molecular formula C16H20Cl2N6 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine.

Molecular Properties

Compound Name2,6-dichloro-4,7-di(piperidin-1-yl)pteridine
PubChem CID13371662
Molecular FormulaC16H20Cl2N6
Molecular Weight367.28 g/mol
Exact Mass366.11
IUPAC Name2,6-dichloro-4,7-di(piperidin-1-yl)pteridine
SMILESClc1nc(N2CCCCC2)c2nc(Cl)c(N3CCCCC3)nc2n1
InChIInChI=1S/C16H20Cl2N6/c17-12-15(24-9-5-2-6-10-24)20-13-11(19-12)14(22-16(18)21-13)23-7-3-1-4-8-23/h1-10H2
InChIKeyWFJIEXVIJLOOAS-UHFFFAOYSA-N
XLogP3.71
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Dichloro-4,8-di(piperidin-1-yl)pyrimido(5,4-d)pyrimidine
CID 81556
4,7-Pteridinediamine, 6-chloro-N,N,N',N'-tetramethyl-2-(1-piperazinyl)-
CID 3024653
6-Chloro-2-piperazin-1-yl-4,7-dipyrrolidin-1-ylpteridine
CID 9930237
6-chloro-N,N-dimethyl-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
CID 10784906
2-Chloro-4-(3,3-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044927
2-Chloro-4-(3-fluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157045393
2-Chloro-4-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157045649
2,6-Dichloro-4,8-(dipiperidino-d20)pyrimido[5,4-d]pyrimidine
CID 45038966
2,6-Dichloro-4,7-dipyrrolidin-1-ylpteridine
CID 10286693
2,6-Dichloro-4,7-bis(dimethylamino)pteridine
CID 10493496
4-(2,6,7-Trichloropteridin-4-yl)thiomorpholine
CID 13371657
2,6-Dichloro-4,7-bis-(1-oxido-thiomorpholino)pteridine
CID 13371659

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine?
The IUPAC name of 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine (CID 13371662) is 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine.
What is the SMILES notation for 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine?
The canonical SMILES for 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine is Clc1nc(N2CCCCC2)c2nc(Cl)c(N3CCCCC3)nc2n1.
What is the InChIKey of 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine?
The InChIKey is WFJIEXVIJLOOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6/c17-12-15(24-9-5-2-6-10-24)20-13-11(19-12)14(22-16(18)21-13)23-7-3-1-4-8-23/h1-10H2.
What are the key properties of 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine?
2,6-dichloro-4,7-di(piperidin-1-yl)pteridine has a molecular weight of 367.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4,7-di(piperidin-1-yl)pteridine is sourced from PubChem (CID 13371662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).