5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine

C14H18BrN5 — CID 75420221

IUPAC5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C14H18BrN5/c1-9-13(10(2)19(3)18-9)12-5-4-6-20(12)14-16-7-11(15)8-17-14/h7-8,12H,4-6H2,1-3H3
InChIKeyFRHZRHYVHLCHEP-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine

5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 75420221) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
PubChem CID75420221
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ncc(Br)cn1
InChIInChI=1S/C14H18BrN5/c1-9-13(10(2)19(3)18-9)12-5-4-6-20(12)14-16-7-11(15)8-17-14/h7-8,12H,4-6H2,1-3H3
InChIKeyFRHZRHYVHLCHEP-UHFFFAOYSA-N
XLogP2.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Ethyl-7-methyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671191
3-Butyl-4-ethyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 12671197
4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 72044430
4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 72044448
7-[(1-Methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97516402
N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117141
N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 91777622
N-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylamine
CID 53192905
6-ethyl-N~2~,N~2~,N~4~-trimethyl-N~4~-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 50955306
N,N-dimethyl-7-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 56894397
6-cyclopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 72857492
5-ethyl-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72877267

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine (CID 75420221) is 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is Cc1nn(C)c(C)c1C1CCCN1c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is FRHZRHYVHLCHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-9-13(10(2)19(3)18-9)12-5-4-6-20(12)14-16-7-11(15)8-17-14/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine?
5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 336.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 75420221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).