2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one

C9H14N4O2 — CID 136976680

IUPAC2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NN2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-7-10-8(6-9(14)11-7)12-13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyGUDHFQKVDFNRNN-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.26
Rot. Bonds2

About 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one

2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976680) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
PubChem CID136976680
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
SMILESCc1nc(NN2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-7-10-8(6-9(14)11-7)12-13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12,14)
InChIKeyGUDHFQKVDFNRNN-UHFFFAOYSA-N
XLogP-0.26
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one (CID 136976680) is 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one is Cc1nc(NN2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is GUDHFQKVDFNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7-10-8(6-9(14)11-7)12-13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12,14).
What are the key properties of 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 210.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).