2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol

C10H19N3O — CID 164647883

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC1CN(C2=NCC(O)CN2)CC1C
InChIInChI=1S/C10H19N3O/c1-7-5-13(6-8(7)2)10-11-3-9(14)4-12-10/h7-9,14H,3-6H2,1-2H3,(H,11,12)
InChIKeyLRVVCIVSWDLVOF-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.11
Rot. Bonds

About 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol

2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 164647883) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID164647883
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCC1CN(C2=NCC(O)CN2)CC1C
InChIInChI=1S/C10H19N3O/c1-7-5-13(6-8(7)2)10-11-3-9(14)4-12-10/h7-9,14H,3-6H2,1-2H3,(H,11,12)
InChIKeyLRVVCIVSWDLVOF-UHFFFAOYSA-N
XLogP-0.11
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-azabicyclo[3.2.0]heptan-3-yl)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 164659232
2-(2-methylprop-2-enylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 125422264
2-[2-[2-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)propan-2-yldiazenyl]propan-2-yl]-1,4,5,6-tetrahydropyrimidin-5-ol;dihydrochloride
CID 22242523
2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
3-(3,4-dimethylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 79187063
4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]-1,2-oxazolidin-3-one
CID 164646643
2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-3-ium-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-3-ium-5-ol
CID 22974477
3-amino-2-(3,4-dimethylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 79181195
4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
CID 106750970
8-(3,4-dimethylpiperidin-1-yl)isoquinolin-5-amine
CID 103139285
5-methyl-3,4-dihydro-2H-pyrrol-3-ol
CID 175914585
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol (CID 164647883) is 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol is CC1CN(C2=NCC(O)CN2)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is LRVVCIVSWDLVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-5-13(6-8(7)2)10-11-3-9(14)4-12-10/h7-9,14H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol?
2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 197.28 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 164647883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).