6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

C18H19N5O4 — CID 95183335

IUPAC6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCOc1ccccc1-n1c(=O)[nH]c2nc(NC[C@H]3CCCO3)ncc2c1=O
InChIInChI=1S/C18H19N5O4/c1-26-14-7-3-2-6-13(14)23-16(24)12-10-20-17(21-15(12)22-18(23)25)19-9-11-5-4-8-27-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,19,20,21,22,25)/t11-/m1/s1
InChIKeyCIPZUFNYTUQNMN-LLVKDONJSA-N
MW369.38 g/mol
LogP1.07
Rot. Bonds5

About 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 95183335) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID95183335
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCOc1ccccc1-n1c(=O)[nH]c2nc(NC[C@H]3CCCO3)ncc2c1=O
InChIInChI=1S/C18H19N5O4/c1-26-14-7-3-2-6-13(14)23-16(24)12-10-20-17(21-15(12)22-18(23)25)19-9-11-5-4-8-27-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,19,20,21,22,25)/t11-/m1/s1
InChIKeyCIPZUFNYTUQNMN-LLVKDONJSA-N
XLogP1.07
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione with MolForge

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Related Compounds

2-[(2-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333319
6-[(2-fluorophenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 97104515
2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(2-methoxyphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333326
5-(dimethylamino)-11-(oxolan-2-ylmethylamino)-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90408388
3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one
CID 9360924
5-amino-11-(oxolan-2-ylmethylamino)-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90407721
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109153538
5-(6,7-dimethoxy-4-methylquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 169416582
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60994624
6,7-dimethoxy-4-(oxolan-2-ylmethylamino)-1H-quinazoline-2-thione
CID 3243470
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CID 95183335) is 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is COc1ccccc1-n1c(=O)[nH]c2nc(NC[C@H]3CCCO3)ncc2c1=O.
What is the InChIKey of 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is CIPZUFNYTUQNMN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-26-14-7-3-2-6-13(14)23-16(24)12-10-20-17(21-15(12)22-18(23)25)19-9-11-5-4-8-27-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,19,20,21,22,25)/t11-/m1/s1.
What are the key properties of 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 369.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 95183335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).