5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one

C9H15N3O3 — CID 136820288

IUPAC5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)OC)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-6(14-2)4-10-8-7(15-3)9(13)12-5-11-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyGRFJDSCSWXTFFK-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.23
Rot. Bonds5

About 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one

5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136820288) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
PubChem CID136820288
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)OC)nc[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-6(14-2)4-10-8-7(15-3)9(13)12-5-11-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyGRFJDSCSWXTFFK-UHFFFAOYSA-N
XLogP0.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786692
5-methoxy-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790777
4-[(3,3-difluoro-2-hydroxypropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136790788
5-methoxy-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819405
4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973716
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975766
4-(2,2-difluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136976581
5-methoxy-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976591
5-methoxy-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976596
4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136979148

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one (CID 136820288) is 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one is COc1c(NCC(C)OC)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is GRFJDSCSWXTFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(14-2)4-10-8-7(15-3)9(13)12-5-11-8/h5-6H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(2-methoxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136820288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).