1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine

C10H15N3 — CID 134386402

IUPAC1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine
SMILESC=C1N=C(N2CCCC2)C=CN1C
InChIInChI=1S/C10H15N3/c1-9-11-10(5-8-12(9)2)13-6-3-4-7-13/h5,8H,1,3-4,6-7H2,2H3
InChIKeyLNXLFNHKUCKQKM-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.41
Rot. Bonds

About 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine

1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine (PubChem CID 134386402) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine
PubChem CID134386402
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine
SMILESC=C1N=C(N2CCCC2)C=CN1C
InChIInChI=1S/C10H15N3/c1-9-11-10(5-8-12(9)2)13-6-3-4-7-13/h5,8H,1,3-4,6-7H2,2H3
InChIKeyLNXLFNHKUCKQKM-UHFFFAOYSA-N
XLogP1.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine (CID 134386402) is 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine is C=C1N=C(N2CCCC2)C=CN1C.
What is the InChIKey of 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is LNXLFNHKUCKQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-9-11-10(5-8-12(9)2)13-6-3-4-7-13/h5,8H,1,3-4,6-7H2,2H3.
What are the key properties of 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine?
1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 134386402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).