6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C17H18N4 — CID 24912897

IUPAC6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1cc3ccccc3[nH]1)C2
InChIInChI=1S/C17H18N4/c1-12-18-9-14-10-21(7-6-17(14)19-12)11-15-8-13-4-2-3-5-16(13)20-15/h2-5,8-9,20H,6-7,10-11H2,1H3
InChIKeyGEWWKMMCRCXWNZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.82
Rot. Bonds2

About 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912897) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912897
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1cc3ccccc3[nH]1)C2
InChIInChI=1S/C17H18N4/c1-12-18-9-14-10-21(7-6-17(14)19-12)11-15-8-13-4-2-3-5-16(13)20-15/h2-5,8-9,20H,6-7,10-11H2,1H3
InChIKeyGEWWKMMCRCXWNZ-UHFFFAOYSA-N
XLogP2.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1H-indol-2-ylmethyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912905
6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910293
6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928986
6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944379
2-tert-butyl-6-(1H-indol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944381
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912561
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
CID 24917852
2-methyl-6-[(7-methyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909348
2-methyl-4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915795
2-methyl-6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915144
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912897) is 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncc2c(n1)CCN(Cc1cc3ccccc3[nH]1)C2.
What is the InChIKey of 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is GEWWKMMCRCXWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-18-9-14-10-21(7-6-17(14)19-12)11-15-8-13-4-2-3-5-16(13)20-15/h2-5,8-9,20H,6-7,10-11H2,1H3.
What are the key properties of 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 278.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-2-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).