3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol

C11H18N4O — CID 103356934

IUPAC3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCNCc1cnc(N2CCC(C)(O)C2)nc1
InChIInChI=1S/C11H18N4O/c1-11(16)3-4-15(8-11)10-13-6-9(5-12-2)7-14-10/h6-7,12,16H,3-5,8H2,1-2H3
InChIKeyVQHTVPIMQSTREE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.16
Rot. Bonds3

About 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol

3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 103356934) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID103356934
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESCNCc1cnc(N2CCC(C)(O)C2)nc1
InChIInChI=1S/C11H18N4O/c1-11(16)3-4-15(8-11)10-13-6-9(5-12-2)7-14-10/h6-7,12,16H,3-5,8H2,1-2H3
InChIKeyVQHTVPIMQSTREE-UHFFFAOYSA-N
XLogP0.16
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
CID 131930031
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 114777537
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
1-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103356760
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189014
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
1-[2-(3-methoxypyrrolidin-1-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 103535803
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 103358954
3-methyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-ol
CID 103356941
1-[4-(ethylaminomethyl)-2,6-difluorophenyl]-3-methylpyrrolidin-3-ol
CID 103356930
1-[2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62931499

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 103356934) is 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol is CNCc1cnc(N2CCC(C)(O)C2)nc1.
What is the InChIKey of 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is VQHTVPIMQSTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(16)3-4-15(8-11)10-13-6-9(5-12-2)7-14-10/h6-7,12,16H,3-5,8H2,1-2H3.
What are the key properties of 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(methylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 103356934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).