2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine

C16H28N4O — CID 168785842

IUPAC2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
SMILESCC(C)OCCN1CCN(c2cnc(C(C)C)nc2)CC1
InChIInChI=1S/C16H28N4O/c1-13(2)16-17-11-15(12-18-16)20-7-5-19(6-8-20)9-10-21-14(3)4/h11-14H,5-10H2,1-4H3
InChIKeyHMTHEAORZLTSHR-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.15
Rot. Bonds6

About 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine

2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine (PubChem CID 168785842) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
PubChem CID168785842
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
SMILESCC(C)OCCN1CCN(c2cnc(C(C)C)nc2)CC1
InChIInChI=1S/C16H28N4O/c1-13(2)16-17-11-15(12-18-16)20-7-5-19(6-8-20)9-10-21-14(3)4/h11-14H,5-10H2,1-4H3
InChIKeyHMTHEAORZLTSHR-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248
5-(azetidin-1-yl)-2-propan-2-ylpyrimidine
CID 170405320
3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline
CID 61484816
2-methyl-1-[4-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 166459386
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611
2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 133339988
3-ethyl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133328707
2-methyl-6-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptane
CID 170613655
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
5-[4-(2-methoxyethyl)piperazin-1-yl]pyridin-2-amine
CID 43461954
2-tert-butyl-5-[4-(3,3-dimethylbutyl)piperazin-1-yl]pyrimidine
CID 176826635
methyl 2-cyano-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyridine-4-carboxylate
CID 126836782

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine (CID 168785842) is 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine is CC(C)OCCN1CCN(c2cnc(C(C)C)nc2)CC1.
What is the InChIKey of 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
The InChIKey is HMTHEAORZLTSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)16-17-11-15(12-18-16)20-7-5-19(6-8-20)9-10-21-14(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine?
2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine has a molecular weight of 292.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 168785842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).