2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H25ClN4O — CID 24911135

IUPAC2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1cccnc1Oc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H25ClN4O/c1-23(2,3)22-26-13-17-15-28(12-10-20(17)27-22)14-16-5-4-11-25-21(16)29-19-8-6-18(24)7-9-19/h4-9,11,13H,10,12,14-15H2,1-3H3
InChIKeyRCVWFNXLYICZAS-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.17
Rot. Bonds4

About 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911135) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911135
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)c1ncc2c(n1)CCN(Cc1cccnc1Oc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H25ClN4O/c1-23(2,3)22-26-13-17-15-28(12-10-20(17)27-22)14-16-5-4-11-25-21(16)29-19-8-6-18(24)7-9-19/h4-9,11,13H,10,12,14-15H2,1-3H3
InChIKeyRCVWFNXLYICZAS-UHFFFAOYSA-N
XLogP5.17
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
2-tert-butyl-6-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917203
2-tert-butyl-6-[(3-chloro-4-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915251
2-tert-butyl-6-[(4-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913718
2-(4-chlorophenyl)-6-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917198
2-tert-butyl-6-[(2-chloro-3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929051
6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806
5-[(2-tert-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4,6-dichloropyrimidin-2-amine
CID 24912878
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
2-tert-butyl-6-[(2-ethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913109
2-tert-butyl-6-(furan-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908513
2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928610

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911135) is 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)(C)c1ncc2c(n1)CCN(Cc1cccnc1Oc1ccc(Cl)cc1)C2.
What is the InChIKey of 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RCVWFNXLYICZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-23(2,3)22-26-13-17-15-28(12-10-20(17)27-22)14-16-5-4-11-25-21(16)29-19-8-6-18(24)7-9-19/h4-9,11,13H,10,12,14-15H2,1-3H3.
What are the key properties of 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 408.93 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[2-(4-chlorophenoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).