2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one

C16H24N4O3 — CID 156749658

IUPAC2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(N2CCC(OCC3CC3)C2)[nH]1
InChIInChI=1S/C16H24N4O3/c21-15-9-14(19-5-7-22-8-6-19)17-16(18-15)20-4-3-13(10-20)23-11-12-1-2-12/h9,12-13H,1-8,10-11H2,(H,17,18,21)
InChIKeyAWPUWTYCSAPWTB-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.61
Rot. Bonds5

About 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one

2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 156749658) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID156749658
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCOCC2)nc(N2CCC(OCC3CC3)C2)[nH]1
InChIInChI=1S/C16H24N4O3/c21-15-9-14(19-5-7-22-8-6-19)17-16(18-15)20-4-3-13(10-20)23-11-12-1-2-12/h9,12-13H,1-8,10-11H2,(H,17,18,21)
InChIKeyAWPUWTYCSAPWTB-UHFFFAOYSA-N
XLogP0.61
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
2-[(1S,2R,5R)-2-benzyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533576
4-(3-methylbutyl)-2-morpholin-4-yl-1H-pyrimidin-6-one;hydrochloride
CID 163329753
2-[(2R)-2-benzyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156533655
2-[(2R,3R)-3-ethynyl-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 174077038
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 121197601
2-ethyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706906
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137008671
2-[(2R)-2-[(2,5-dimethoxyphenyl)methyl]azepan-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 168818422
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one (CID 156749658) is 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one is O=c1cc(N2CCOCC2)nc(N2CCC(OCC3CC3)C2)[nH]1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is AWPUWTYCSAPWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-15-9-14(19-5-7-22-8-6-19)17-16(18-15)20-4-3-13(10-20)23-11-12-1-2-12/h9,12-13H,1-8,10-11H2,(H,17,18,21).
What are the key properties of 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one?
2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 320.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 156749658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).