N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C14H20BrN5S — CID 80994923

IUPACN-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H20BrN5S/c1-8(2)12-17-13(19-16)9(3)14(18-12)20(4)6-10-5-11(15)21-7-10/h5,7-8H,6,16H2,1-4H3,(H,17,18,19)
InChIKeyCDIBEOIASYTUKQ-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.65
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80994923) has the molecular formula C14H20BrN5S and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80994923
Molecular FormulaC14H20BrN5S
Molecular Weight370.32 g/mol
Exact Mass369.06
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H20BrN5S/c1-8(2)12-17-13(19-16)9(3)14(18-12)20(4)6-10-5-11(15)21-7-10/h5,7-8H,6,16H2,1-4H3,(H,17,18,19)
InChIKeyCDIBEOIASYTUKQ-UHFFFAOYSA-N
XLogP3.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]ethanol
CID 81001694
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207600
N-[(4-bromothiophen-2-yl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80971700
3-[[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 81005910
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
2-N-[(5-bromothiophen-3-yl)methyl]-6-chloro-2-N-methylpyridine-2,3-diamine
CID 113316842
N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 80904273
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631429
6-hydrazinyl-N,5-dimethyl-N-(2-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 81007010
N-ethyl-6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 81006834
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56587593

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 80994923) is N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(NN)nc(C(C)C)nc1N(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CDIBEOIASYTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5S/c1-8(2)12-17-13(19-16)9(3)14(18-12)20(4)6-10-5-11(15)21-7-10/h5,7-8H,6,16H2,1-4H3,(H,17,18,19).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 370.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-6-hydrazinyl-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80994923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).