N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine

C14H20BrN5S — CID 106043930

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C14H20BrN5S/c1-3-4-12-18-13(9(2)14(19-12)20-16)17-8-7-10-5-6-11(15)21-10/h5-6H,3-4,7-8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyRHQCOFVSDLTZSB-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.50
Rot. Bonds7

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

N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 106043930) has the molecular formula C14H20BrN5S and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID106043930
Molecular FormulaC14H20BrN5S
Molecular Weight370.32 g/mol
Exact Mass369.06
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C14H20BrN5S/c1-3-4-12-18-13(9(2)14(19-12)20-16)17-8-7-10-5-6-11(15)21-10/h5-6H,3-4,7-8,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyRHQCOFVSDLTZSB-UHFFFAOYSA-N
XLogP3.50
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.50
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

N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 81000696
N-[(5-bromothiophen-2-yl)methyl]-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006916
4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 106043147
6-hydrazinyl-5-methyl-N-(1,2-oxazol-5-ylmethyl)-2-propylpyrimidin-4-amine
CID 106424779
4-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 106043042
6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propylpyrimidin-4-amine
CID 81006405
6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 81007066
6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106038646
6-hydrazinyl-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-2-propylpyrimidin-4-amine
CID 106412418
1-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 81006767
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine (CID 106043930) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NN)c(C)c(NCCc2ccc(Br)s2)n1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is RHQCOFVSDLTZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5S/c1-3-4-12-18-13(9(2)14(19-12)20-16)17-8-7-10-5-6-11(15)21-10/h5-6H,3-4,7-8,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 370.32 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 106043930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).