4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136965343

IUPAC4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(CCN)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C11H17N3O2/c1-16-10(7-2-3-7)11-13-8(4-5-12)6-9(15)14-11/h6-7,10H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyMJELPEGNELMPOG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.37
Rot. Bonds5

About 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one

4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 136965343) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID136965343
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nc(CCN)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C11H17N3O2/c1-16-10(7-2-3-7)11-13-8(4-5-12)6-9(15)14-11/h6-7,10H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyMJELPEGNELMPOG-UHFFFAOYSA-N
XLogP0.37
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965429
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997573
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576
4-[(tert-butylamino)methyl]-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 136965433
2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965445
4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790373
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 136965343) is 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nc(CCN)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is MJELPEGNELMPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-10(7-2-3-7)11-13-8(4-5-12)6-9(15)14-11/h6-7,10H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136965343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).