2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C14H22N4O — CID 136876801

IUPAC2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCC1(C)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H22N4O/c1-14(8-15-2)5-6-18(9-14)11-7-12(19)17-13(16-11)10-3-4-10/h7,10,15H,3-6,8-9H2,1-2H3,(H,16,17,19)
InChIKeyQYBRRJGERMVNPJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.08
Rot. Bonds4

About 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136876801) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136876801
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCNCC1(C)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H22N4O/c1-14(8-15-2)5-6-18(9-14)11-7-12(19)17-13(16-11)10-3-4-10/h7,10,15H,3-6,8-9H2,1-2H3,(H,16,17,19)
InChIKeyQYBRRJGERMVNPJ-UHFFFAOYSA-N
XLogP1.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
4-amino-2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 173826212
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779
2-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136232151
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
2-(azetidin-3-yl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314485
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
2-(3-aminopropyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314514

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136876801) is 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is CNCC1(C)CCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is QYBRRJGERMVNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(8-15-2)5-6-18(9-14)11-7-12(19)17-13(16-11)10-3-4-10/h7,10,15H,3-6,8-9H2,1-2H3,(H,16,17,19).
What are the key properties of 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136876801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).