5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

C10H16N4O3 — CID 136706915

IUPAC5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC2COCCN2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-16-8-9(13-6-14-10(8)15)12-4-7-5-17-3-2-11-7/h6-7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyHVHVWTUPPOFOIE-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.82
Rot. Bonds4

About 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one

5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136706915) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136706915
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC2COCCN2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-16-8-9(13-6-14-10(8)15)12-4-7-5-17-3-2-11-7/h6-7,11H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyHVHVWTUPPOFOIE-UHFFFAOYSA-N
XLogP-0.82
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57205020
5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57238367
5-methoxy-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586393
5-iodo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706913
4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706914
5-amino-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706918
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781025
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783269
5-amino-4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783272
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805283

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136706915) is 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is COc1c(NCC2COCCN2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is HVHVWTUPPOFOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-16-8-9(13-6-14-10(8)15)12-4-7-5-17-3-2-11-7/h6-7,11H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136706915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).