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

C16H23N5 — CID 24913382

IUPAC2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1nccc1CN1CCc2nc(C(C)(C)C)ncc2C1
InChIInChI=1S/C16H23N5/c1-16(2,3)15-17-9-12-10-21(8-6-14(12)19-15)11-13-5-7-18-20(13)4/h5,7,9H,6,8,10-11H2,1-4H3
InChIKeyIVSGFMHDPIANQD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.07
Rot. Bonds2

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

2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913382) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24913382
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1nccc1CN1CCc2nc(C(C)(C)C)ncc2C1
InChIInChI=1S/C16H23N5/c1-16(2,3)15-17-9-12-10-21(8-6-14(12)19-15)11-13-5-7-18-20(13)4/h5,7,9H,6,8,10-11H2,1-4H3
InChIKeyIVSGFMHDPIANQD-UHFFFAOYSA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913382) is 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1nccc1CN1CCc2nc(C(C)(C)C)ncc2C1.
What is the InChIKey of 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IVSGFMHDPIANQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2,3)15-17-9-12-10-21(8-6-14(12)19-15)11-13-5-7-18-20(13)4/h5,7,9H,6,8,10-11H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 285.39 g/mol, XLogP of 2.07, 2 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-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).