5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine

C14H21N5S — CID 80918079

IUPAC5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)Cc1ccc(C)s1
InChIInChI=1S/C14H21N5S/c1-4-12-13(16-8-17-14(12)19-15)18-9(2)7-11-6-5-10(3)20-11/h5-6,8-9H,4,7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyKSGGCRFYEGYUMQ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.74
Rot. Bonds6

About 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 80918079) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID80918079
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)Cc1ccc(C)s1
InChIInChI=1S/C14H21N5S/c1-4-12-13(16-8-17-14(12)19-15)18-9(2)7-11-6-5-10(3)20-11/h5-6,8-9H,4,7,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyKSGGCRFYEGYUMQ-UHFFFAOYSA-N
XLogP2.74
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.74
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

3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949550
5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80897021
6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 80908255
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314
2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80917766
4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyrimidine-5-carboxylic acid
CID 114214452
5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897613
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[1,2-a]pyrazin-8-amine
CID 80909069
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80813455

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine (CID 80918079) is 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine is CCc1c(NN)ncnc1NC(C)Cc1ccc(C)s1.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is KSGGCRFYEGYUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-12-13(16-8-17-14(12)19-15)18-9(2)7-11-6-5-10(3)20-11/h5-6,8-9H,4,7,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 80918079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).