6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H23FN8 — CID 122669866

IUPAC6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCNCC2)cc(F)n1
InChIInChI=1S/C21H23FN8/c1-14-16-13-26-21(20-24-4-2-5-25-20)27-17(16)3-8-30(14)19-12-15(11-18(22)28-19)29-9-6-23-7-10-29/h2,4-5,11-14,23H,3,6-10H2,1H3
InChIKeyWVLLLNPHKFGGMN-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.00
Rot. Bonds3

About 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 122669866) has the molecular formula C21H23FN8 and a molecular weight of 406.47 g/mol. Its IUPAC name is 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID122669866
Molecular FormulaC21H23FN8
Molecular Weight406.47 g/mol
Exact Mass406.20
IUPAC Name6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCNCC2)cc(F)n1
InChIInChI=1S/C21H23FN8/c1-14-16-13-26-21(20-24-4-2-5-25-20)27-17(16)3-8-30(14)19-12-15(11-18(22)28-19)29-9-6-23-7-10-29/h2,4-5,11-14,23H,3,6-10H2,1H3
InChIKeyWVLLLNPHKFGGMN-UHFFFAOYSA-N
XLogP2.00
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 25020250
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CID 10267580
CID 10267580
CID 921562
CID 921562
CID 5328377
CID 5328377
CID 2725966
CID 2725966
CID 3296768
CID 3296768
CID 5328069
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CID 5328077
CID 5328077
CID 5328264
CID 5328264

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 122669866) is 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC1c2cnc(-c3ncccn3)nc2CCN1c1cc(N2CCNCC2)cc(F)n1.
What is the InChIKey of 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is WVLLLNPHKFGGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8/c1-14-16-13-26-21(20-24-4-2-5-25-20)27-17(16)3-8-30(14)19-12-15(11-18(22)28-19)29-9-6-23-7-10-29/h2,4-5,11-14,23H,3,6-10H2,1H3.
What are the key properties of 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 406.47 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-4-piperazin-1-yl-2-pyridinyl)-5-methyl-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 122669866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).