[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine

C11H18N4 — CID 102783996

IUPAC[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCc1nccc(N2CCC(C)C2CN)n1
InChIInChI=1S/C11H18N4/c1-8-4-6-15(10(8)7-12)11-3-5-13-9(2)14-11/h3,5,8,10H,4,6-7,12H2,1-2H3
InChIKeyKMHRVMXZIOLGMX-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.96
Rot. Bonds2

About [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine

[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine (PubChem CID 102783996) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
PubChem CID102783996
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCc1nccc(N2CCC(C)C2CN)n1
InChIInChI=1S/C11H18N4/c1-8-4-6-15(10(8)7-12)11-3-5-13-9(2)14-11/h3,5,8,10H,4,6-7,12H2,1-2H3
InChIKeyKMHRVMXZIOLGMX-UHFFFAOYSA-N
XLogP0.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102784171
[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102783955
[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 115527232
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
[1-(7-methoxyisoquinolin-1-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 106543635
[5-methyl-4-(2-methylpyrimidin-4-yl)morpholin-2-yl]methanamine
CID 81216984
[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102784013
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784195
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 102783879

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine (CID 102783996) is [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine is Cc1nccc(N2CCC(C)C2CN)n1.
What is the InChIKey of [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is KMHRVMXZIOLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-4-6-15(10(8)7-12)11-3-5-13-9(2)14-11/h3,5,8,10H,4,6-7,12H2,1-2H3.
What are the key properties of [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine?
[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 206.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102783996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).