3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide

C20H21N5O — CID 68915273

IUPAC3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide
SMILESCCCc1nc(N)nc2ccc(-c3cccc(C(=O)NC4CC4)c3)nc12
InChIInChI=1S/C20H21N5O/c1-2-4-16-18-17(25-20(21)24-16)10-9-15(23-18)12-5-3-6-13(11-12)19(26)22-14-7-8-14/h3,5-6,9-11,14H,2,4,7-8H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeyBUAQDSHRJCVVGJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide

3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide (PubChem CID 68915273) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide
PubChem CID68915273
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide
SMILESCCCc1nc(N)nc2ccc(-c3cccc(C(=O)NC4CC4)c3)nc12
InChIInChI=1S/C20H21N5O/c1-2-4-16-18-17(25-20(21)24-16)10-9-15(23-18)12-5-3-6-13(11-12)19(26)22-14-7-8-14/h3,5-6,9-11,14H,2,4,7-8H2,1H3,(H,22,26)(H2,21,24,25)
InChIKeyBUAQDSHRJCVVGJ-UHFFFAOYSA-N
XLogP3.12
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide?
The IUPAC name of 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide (CID 68915273) is 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide.
What is the SMILES notation for 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide?
The canonical SMILES for 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide is CCCc1nc(N)nc2ccc(-c3cccc(C(=O)NC4CC4)c3)nc12.
What is the InChIKey of 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide?
The InChIKey is BUAQDSHRJCVVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-4-16-18-17(25-20(21)24-16)10-9-15(23-18)12-5-3-6-13(11-12)19(26)22-14-7-8-14/h3,5-6,9-11,14H,2,4,7-8H2,1H3,(H,22,26)(H2,21,24,25).
What are the key properties of 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide?
3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide is sourced from PubChem (CID 68915273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).