6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

C13H19N5S — CID 80896820

IUPAC6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1nc(C)nc(NN)c1C)c1cccs1
InChIInChI=1S/C13H19N5S/c1-4-10(11-6-5-7-19-11)17-12-8(2)13(18-14)16-9(3)15-12/h5-7,10H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyADHCOALSTQASCN-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.00
Rot. Bonds5

About 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (PubChem CID 80896820) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
PubChem CID80896820
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1nc(C)nc(NN)c1C)c1cccs1
InChIInChI=1S/C13H19N5S/c1-4-10(11-6-5-7-19-11)17-12-8(2)13(18-14)16-9(3)15-12/h5-7,10H,4,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyADHCOALSTQASCN-UHFFFAOYSA-N
XLogP3.00
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.00
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

6-hydrazinyl-2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80904535
2,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80808300
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589
3,5-dichloro-6-hydrazinyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 102761807
5-methyl-2-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80986238
5-chloro-2-N-methyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807609
3-chloro-2-methyl-N-(1-thiophen-2-ylpropyl)aniline
CID 43104270
3-methyl-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 115550269
6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80798116
3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 112675753
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (CID 80896820) is 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is CCC(Nc1nc(C)nc(NN)c1C)c1cccs1.
What is the InChIKey of 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The InChIKey is ADHCOALSTQASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-4-10(11-6-5-7-19-11)17-12-8(2)13(18-14)16-9(3)15-12/h5-7,10H,4,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80896820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).