5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine

C14H20BrN5 — CID 154736177

IUPAC5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ncncc1Br
InChIInChI=1S/C14H20BrN5/c1-9(18-13-12(15)6-16-8-17-13)11-7-20(14(3,4)5)19-10(11)2/h6-9H,1-5H3,(H,16,17,18)
InChIKeyMOPBXQNVICUNNY-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.67
Rot. Bonds3

About 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine

5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 154736177) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID154736177
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC Name5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ncncc1Br
InChIInChI=1S/C14H20BrN5/c1-9(18-13-12(15)6-16-8-17-13)11-7-20(14(3,4)5)19-10(11)2/h6-9H,1-5H3,(H,16,17,18)
InChIKeyMOPBXQNVICUNNY-UHFFFAOYSA-N
XLogP3.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133477608
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
CID 133477273
1-tert-butyl-3-methyl-4-propan-2-ylpyrazole
CID 126758593
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine
CID 133477434
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133477612
(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine
CID 51893143
2-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 133477506
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133477552
5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 66339912
2-tert-butyl-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133477462

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 154736177) is 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nn(C(C)(C)C)cc1C(C)Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MOPBXQNVICUNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-9(18-13-12(15)6-16-8-17-13)11-7-20(14(3,4)5)19-10(11)2/h6-9H,1-5H3,(H,16,17,18).
What are the key properties of 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 338.25 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 154736177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).