4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine

C13H21N3 — CID 133472422

IUPAC4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(N2C(C)CCC2C)nc(C)n1
InChIInChI=1S/C13H21N3/c1-5-12-8-13(15-11(4)14-12)16-9(2)6-7-10(16)3/h8-10H,5-7H2,1-4H3
InChIKeyPAKGZPZGNPFKJI-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds2

About 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine

4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine (PubChem CID 133472422) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
PubChem CID133472422
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(N2C(C)CCC2C)nc(C)n1
InChIInChI=1S/C13H21N3/c1-5-12-8-13(15-11(4)14-12)16-9(2)6-7-10(16)3/h8-10H,5-7H2,1-4H3
InChIKeyPAKGZPZGNPFKJI-UHFFFAOYSA-N
XLogP2.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpyrimidine
CID 83135757
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
6-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-amine
CID 129499414
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133461008
4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133460996
1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133461987
1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106701
[4-(6-ethyl-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938660
4-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460422
(3S,4S)-1-(6-ethyl-2-methylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063861

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine?
The IUPAC name of 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine (CID 133472422) is 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine is CCc1cc(N2C(C)CCC2C)nc(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine?
The InChIKey is PAKGZPZGNPFKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-12-8-13(15-11(4)14-12)16-9(2)6-7-10(16)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine?
4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 133472422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).