1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

C12H20N4O — CID 112635132

IUPAC1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1nc(C)cc(OC)n1
InChIInChI=1S/C12H20N4O/c1-9-7-11(17-3)15-12(14-9)16-6-4-5-10(16)8-13-2/h7,10,13H,4-6,8H2,1-3H3
InChIKeySJFZFQAEJRRQHX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds4

About 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine

1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 112635132) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID112635132
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1nc(C)cc(OC)n1
InChIInChI=1S/C12H20N4O/c1-9-7-11(17-3)15-12(14-9)16-6-4-5-10(16)8-13-2/h7,10,13H,4-6,8H2,1-3H3
InChIKeySJFZFQAEJRRQHX-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]methyl]-2-methylpropan-2-amine
CID 115973799
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 112748216
1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112638856
cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129491924
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
2-[2-(bromomethyl)piperidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635723
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635765

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine (CID 112635132) is 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1c1nc(C)cc(OC)n1.
What is the InChIKey of 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is SJFZFQAEJRRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-11(17-3)15-12(14-9)16-6-4-5-10(16)8-13-2/h7,10,13H,4-6,8H2,1-3H3.
What are the key properties of 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 236.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 112635132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).