2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C24H34N4O3 — CID 46953784

IUPAC2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(OC)cc1CN1CCc2c(nc(C(C)C)nc2N2CCCC2)C1
InChIInChI=1S/C24H34N4O3/c1-16(2)23-25-19-15-27(11-8-18(19)24(26-23)28-9-6-7-10-28)14-17-12-21(30-4)22(31-5)13-20(17)29-3/h12-13,16H,6-11,14-15H2,1-5H3
InChIKeyOXBXTVGYOLDMKM-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.78
Rot. Bonds7

About 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 46953784) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID46953784
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1cc(OC)c(OC)cc1CN1CCc2c(nc(C(C)C)nc2N2CCCC2)C1
InChIInChI=1S/C24H34N4O3/c1-16(2)23-25-19-15-27(11-8-18(19)24(26-23)28-9-6-7-10-28)14-17-12-21(30-4)22(31-5)13-20(17)29-3/h12-13,16H,6-11,14-15H2,1-5H3
InChIKeyOXBXTVGYOLDMKM-UHFFFAOYSA-N
XLogP3.78
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 46953784) is 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1cc(OC)c(OC)cc1CN1CCc2c(nc(C(C)C)nc2N2CCCC2)C1.
What is the InChIKey of 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is OXBXTVGYOLDMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16(2)23-25-19-15-27(11-8-18(19)24(26-23)28-9-6-7-10-28)14-17-12-21(30-4)22(31-5)13-20(17)29-3/h12-13,16H,6-11,14-15H2,1-5H3.
What are the key properties of 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 426.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-pyrrolidin-1-yl-7-[(2,4,5-trimethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 46953784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).