2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine

C17H28N4 — CID 133349392

IUPAC2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine
SMILESCc1cnc(N2CCC(C)(C)C2)nc1N1CCC(C)(C)C1
InChIInChI=1S/C17H28N4/c1-13-10-18-15(21-9-7-17(4,5)12-21)19-14(13)20-8-6-16(2,3)11-20/h10H,6-9,11-12H2,1-5H3
InChIKeyWJSAHFJPQDATAE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.26
Rot. Bonds2

About 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine

2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine (PubChem CID 133349392) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine
PubChem CID133349392
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine
SMILESCc1cnc(N2CCC(C)(C)C2)nc1N1CCC(C)(C)C1
InChIInChI=1S/C17H28N4/c1-13-10-18-15(21-9-7-17(4,5)12-21)19-14(13)20-8-6-16(2,3)11-20/h10H,6-9,11-12H2,1-5H3
InChIKeyWJSAHFJPQDATAE-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189092
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189014
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine
CID 131075383
4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide
CID 112755799
(3S,4S)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
CID 72877463
5-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
CID 83183802
2-[2-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 133349367
N-[[6-(3,3-dimethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80635474
1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-3-phenylpyrrolidine-3-carboxylic acid
CID 137341839
(3R)-3-methyl-1-(5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126704475
2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906855

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine (CID 133349392) is 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine is Cc1cnc(N2CCC(C)(C)C2)nc1N1CCC(C)(C)C1.
What is the InChIKey of 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine?
The InChIKey is WJSAHFJPQDATAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-10-18-15(21-9-7-17(4,5)12-21)19-14(13)20-8-6-16(2,3)11-20/h10H,6-9,11-12H2,1-5H3.
What are the key properties of 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine?
2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine has a molecular weight of 288.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 133349392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).