7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one

C17H21N7O2 — CID 66959544

IUPAC7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)Nc1nc(-c2cnc(N)nc2)cc2ncn(CCO)c(=O)c12
InChIInChI=1S/C17H21N7O2/c1-17(2,3)23-14-13-12(21-9-24(4-5-25)15(13)26)6-11(22-14)10-7-19-16(18)20-8-10/h6-9,25H,4-5H2,1-3H3,(H,22,23)(H2,18,19,20)
InChIKeyOPUXNUCJBVBMRD-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.03
Rot. Bonds4

About 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one

7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959544) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959544
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)(C)Nc1nc(-c2cnc(N)nc2)cc2ncn(CCO)c(=O)c12
InChIInChI=1S/C17H21N7O2/c1-17(2,3)23-14-13-12(21-9-24(4-5-25)15(13)26)6-11(22-14)10-7-19-16(18)20-8-10/h6-9,25H,4-5H2,1-3H3,(H,22,23)(H2,18,19,20)
InChIKeyOPUXNUCJBVBMRD-UHFFFAOYSA-N
XLogP1.03
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959544) is 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one is CC(C)(C)Nc1nc(-c2cnc(N)nc2)cc2ncn(CCO)c(=O)c12.
What is the InChIKey of 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OPUXNUCJBVBMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-17(2,3)23-14-13-12(21-9-24(4-5-25)15(13)26)6-11(22-14)10-7-19-16(18)20-8-10/h6-9,25H,4-5H2,1-3H3,(H,22,23)(H2,18,19,20).
What are the key properties of 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one?
7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 355.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopyrimidin-5-yl)-5-(tert-butylamino)-3-(2-hydroxyethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).