2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C10H16N4O2 — CID 135408993

IUPAC2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN(CCO)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C10H16N4O2/c1-14(4-5-15)10-12-8-2-3-11-6-7(8)9(16)13-10/h11,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyOHAUYDWFERNNCH-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.16
Rot. Bonds3

About 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135408993) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135408993
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN(CCO)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C10H16N4O2/c1-14(4-5-15)10-12-8-2-3-11-6-7(8)9(16)13-10/h11,15H,2-6H2,1H3,(H,12,13,16)
InChIKeyOHAUYDWFERNNCH-UHFFFAOYSA-N
XLogP-1.16
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135880370
5,6-Ditert-butyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110198
6-Tert-butyl-5-ethyl-2-(2-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 71110306
2-(dimethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136316789
2-(Dimethylamino)-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 164143870
3-Methyl-2-morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619774
2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135571630
2-Morpholino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578169
5-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135587524
2-amino-6-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 136261172
2-(Aminomethyl)-6-(2-hydroxyethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136311358
2-amino-7-(2-hydroxyethyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136311359

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135408993) is 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CN(CCO)c1nc2c(c(=O)[nH]1)CNCC2.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OHAUYDWFERNNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(4-5-15)10-12-8-2-3-11-6-7(8)9(16)13-10/h11,15H,2-6H2,1H3,(H,12,13,16).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 224.26 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135408993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).