2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine

C11H10Cl2N4 — CID 170156033

IUPAC2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2cc(N3CCCC3)ncc2n1
InChIInChI=1S/C11H10Cl2N4/c12-10-7-5-9(17-3-1-2-4-17)14-6-8(7)15-11(13)16-10/h5-6H,1-4H2
InChIKeyFDKCEHDWHZSFGN-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.93
Rot. Bonds1

About 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine

2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine (PubChem CID 170156033) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.13 g/mol. Its IUPAC name is 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
PubChem CID170156033
Molecular FormulaC11H10Cl2N4
Molecular Weight269.13 g/mol
Exact Mass268.03
IUPAC Name2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2cc(N3CCCC3)ncc2n1
InChIInChI=1S/C11H10Cl2N4/c12-10-7-5-9(17-3-1-2-4-17)14-6-8(7)15-11(13)16-10/h5-6H,1-4H2
InChIKeyFDKCEHDWHZSFGN-UHFFFAOYSA-N
XLogP2.93
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine (CID 170156033) is 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine is Clc1nc(Cl)c2cc(N3CCCC3)ncc2n1.
What is the InChIKey of 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
The InChIKey is FDKCEHDWHZSFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c12-10-7-5-9(17-3-1-2-4-17)14-6-8(7)15-11(13)16-10/h5-6H,1-4H2.
What are the key properties of 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine?
2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine has a molecular weight of 269.13 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 170156033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).