4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C18H22N4 — CID 46201971

IUPAC4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccc(-c2nc(N3CCCC3)nc3c2CNCC3)cc1
InChIInChI=1S/C18H22N4/c1-13-4-6-14(7-5-13)17-15-12-19-9-8-16(15)20-18(21-17)22-10-2-3-11-22/h4-7,19H,2-3,8-12H2,1H3
InChIKeyQFNQYCOCRUIWSL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.70
Rot. Bonds2

About 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 46201971) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID46201971
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1ccc(-c2nc(N3CCCC3)nc3c2CNCC3)cc1
InChIInChI=1S/C18H22N4/c1-13-4-6-14(7-5-13)17-15-12-19-9-8-16(15)20-18(21-17)22-10-2-3-11-22/h4-7,19H,2-3,8-12H2,1H3
InChIKeyQFNQYCOCRUIWSL-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 46201971) is 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1ccc(-c2nc(N3CCCC3)nc3c2CNCC3)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is QFNQYCOCRUIWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-13-4-6-14(7-5-13)17-15-12-19-9-8-16(15)20-18(21-17)22-10-2-3-11-22/h4-7,19H,2-3,8-12H2,1H3.
What are the key properties of 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 294.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46201971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).