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

C12H17N5S — CID 80917766

IUPAC2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1ccc(CC(C)Nc2ccnc(NN)n2)s1
InChIInChI=1S/C12H17N5S/c1-8(7-10-4-3-9(2)18-10)15-11-5-6-14-12(16-11)17-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMVSDKUSEJRRRNY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.18
Rot. Bonds5

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

2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 80917766) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
PubChem CID80917766
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
SMILESCc1ccc(CC(C)Nc2ccnc(NN)n2)s1
InChIInChI=1S/C12H17N5S/c1-8(7-10-4-3-9(2)18-10)15-11-5-6-14-12(16-11)17-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMVSDKUSEJRRRNY-UHFFFAOYSA-N
XLogP2.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.18
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

2-N,6-dimethyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 80836637
6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[1,2-a]pyrazin-8-amine
CID 80909069
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
CID 83064073
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
2-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897391
6-N-ethyl-2-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
CID 80836636
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80825223
6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 78997302
N-[1-(5-methylthiophen-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 103703296
2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917622
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine (CID 80917766) is 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine is Cc1ccc(CC(C)Nc2ccnc(NN)n2)s1.
What is the InChIKey of 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
The InChIKey is MVSDKUSEJRRRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-8(7-10-4-3-9(2)18-10)15-11-5-6-14-12(16-11)17-13/h3-6,8H,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine?
2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 80917766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).