N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C13H18BrN5S — CID 81006916

IUPACN-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NCc1ccc(Br)s1
InChIInChI=1S/C13H18BrN5S/c1-7(2)11-17-12(8(3)13(18-11)19-15)16-6-9-4-5-10(14)20-9/h4-5,7H,6,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyHEHYGHXHPVHVRI-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.63
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 81006916) has the molecular formula C13H18BrN5S and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID81006916
Molecular FormulaC13H18BrN5S
Molecular Weight356.29 g/mol
Exact Mass355.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NCc1ccc(Br)s1
InChIInChI=1S/C13H18BrN5S/c1-7(2)11-17-12(8(3)13(18-11)19-15)16-6-9-4-5-10(14)20-9/h4-5,7H,6,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyHEHYGHXHPVHVRI-UHFFFAOYSA-N
XLogP3.63
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983416
6-hydrazinyl-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 81007239
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106043930
6-hydrazinyl-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702345
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063898
2-N-[(5-bromothiophen-2-yl)methyl]-6-methylpyridine-2,3-diamine
CID 81132228
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
4-N-[(5-bromothiophen-2-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80836650
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262
4-N-[(5-bromothiophen-2-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80837341
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 81006916) is N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(NN)nc(C(C)C)nc1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HEHYGHXHPVHVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5S/c1-7(2)11-17-12(8(3)13(18-11)19-15)16-6-9-4-5-10(14)20-9/h4-5,7H,6,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 356.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81006916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).