6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H18ClN7 — CID 24911944

IUPAC6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)[nH]c1CN1CCc2nc(-c3cncnc3)ncc2C1
InChIInChI=1S/C21H18ClN7/c22-19-18(27-21(28-19)14-4-2-1-3-5-14)12-29-7-6-17-16(11-29)10-25-20(26-17)15-8-23-13-24-9-15/h1-5,8-10,13H,6-7,11-12H2,(H,27,28)
InChIKeyXTZHEBTYEAFUJA-UHFFFAOYSA-N
MW403.88 g/mol
LogP3.54
Rot. Bonds4

About 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911944) has the molecular formula C21H18ClN7 and a molecular weight of 403.88 g/mol. Its IUPAC name is 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911944
Molecular FormulaC21H18ClN7
Molecular Weight403.88 g/mol
Exact Mass403.13
IUPAC Name6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)[nH]c1CN1CCc2nc(-c3cncnc3)ncc2C1
InChIInChI=1S/C21H18ClN7/c22-19-18(27-21(28-19)14-4-2-1-3-5-14)12-29-7-6-17-16(11-29)10-25-20(26-17)15-8-23-13-24-9-15/h1-5,8-10,13H,6-7,11-12H2,(H,27,28)
InChIKeyXTZHEBTYEAFUJA-UHFFFAOYSA-N
XLogP3.54
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.88
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911947
6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911839
3-phenyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2,4-oxadiazole
CID 24917361
2-chloro-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929125
6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912826
6-[(3-fluoro-4-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915766
3-chloro-4-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929188
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
5-(furan-2-yl)-3-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24917424
6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915976
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
2-nitro-6-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenol
CID 24929671

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911944) is 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1nc(-c2ccccc2)[nH]c1CN1CCc2nc(-c3cncnc3)ncc2C1.
What is the InChIKey of 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XTZHEBTYEAFUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7/c22-19-18(27-21(28-19)14-4-2-1-3-5-14)12-29-7-6-17-16(11-29)10-25-20(26-17)15-8-23-13-24-9-15/h1-5,8-10,13H,6-7,11-12H2,(H,27,28).
What are the key properties of 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 403.88 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).