4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

C17H28N4O — CID 75436396

IUPAC4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC(OCCN3CCCCC3)C2)nc1C
InChIInChI=1S/C17H28N4O/c1-14-12-18-17(19-15(14)2)21-9-6-16(13-21)22-11-10-20-7-4-3-5-8-20/h12,16H,3-11,13H2,1-2H3
InChIKeyZDYDHKDFKFINHU-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds5

About 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (PubChem CID 75436396) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
PubChem CID75436396
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1cnc(N2CCC(OCCN3CCCCC3)C2)nc1C
InChIInChI=1S/C17H28N4O/c1-14-12-18-17(19-15(14)2)21-9-6-16(13-21)22-11-10-20-7-4-3-5-8-20/h12,16H,3-11,13H2,1-2H3
InChIKeyZDYDHKDFKFINHU-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53571616
7-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53572016
4-(5-Ethylpyrimidin-2-YL)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 72924435
4-Methyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432365
N,N-dimethyl-2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-sulfonamide
CID 86264645
4-methyl-2-[(3R)-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]pyrimidine
CID 86802449
4-methyl-6-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 97605877
tert-butyl 2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 119106458
4-[5-Methyl-4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 130244152
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-4-methyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 176205706
4-(4-Ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
CID 56866302
(2S)-4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
CID 95525002

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (CID 75436396) is 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is Cc1cnc(N2CCC(OCCN3CCCCC3)C2)nc1C.
What is the InChIKey of 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The InChIKey is ZDYDHKDFKFINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-12-18-17(19-15(14)2)21-9-6-16(13-21)22-11-10-20-7-4-3-5-8-20/h12,16H,3-11,13H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine has a molecular weight of 304.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 75436396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).