N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine

C14H24N4 — CID 113491546

IUPACN-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2nc(C)cc(C(C)C)n2)C1
InChIInChI=1S/C14H24N4/c1-10(2)13-7-11(3)16-14(17-13)18-6-5-12(9-18)8-15-4/h7,10,12,15H,5-6,8-9H2,1-4H3
InChIKeyYIIDSVUOFRSIIO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.95
Rot. Bonds4

About N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 113491546) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID113491546
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2nc(C)cc(C(C)C)n2)C1
InChIInChI=1S/C14H24N4/c1-10(2)13-7-11(3)16-14(17-13)18-6-5-12(9-18)8-15-4/h7,10,12,15H,5-6,8-9H2,1-4H3
InChIKeyYIIDSVUOFRSIIO-UHFFFAOYSA-N
XLogP1.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63267845
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489
N-methyl-1-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-4-yl]methanamine
CID 115973409
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
1-[1-(5-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine (CID 113491546) is N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine is CNCC1CCN(c2nc(C)cc(C(C)C)n2)C1.
What is the InChIKey of N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is YIIDSVUOFRSIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)13-7-11(3)16-14(17-13)18-6-5-12(9-18)8-15-4/h7,10,12,15H,5-6,8-9H2,1-4H3.
What are the key properties of N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 248.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 113491546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).