2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine

C13H17N5S — CID 80969118

IUPAC2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccsc1CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H17N5S/c1-8-4-5-19-10(8)7-15-11-6-12(18-14)17-13(16-11)9-2-3-9/h4-6,9H,2-3,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyAHVOTUHYBMEZQL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.62
Rot. Bonds5

About 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80969118) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID80969118
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccsc1CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H17N5S/c1-8-4-5-19-10(8)7-15-11-6-12(18-14)17-13(16-11)9-2-3-9/h4-6,9H,2-3,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyAHVOTUHYBMEZQL-UHFFFAOYSA-N
XLogP2.62
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.62
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-cyclopropyl-6-N-methyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958956
2-cyclopropyl-6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80964171
2-cyclopropyl-6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80969142
2-cyclopropyl-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80964428
2-cyclopropyl-6-hydrazinyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80965097
2-cyclopropyl-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 80964280
2-cyclopropyl-6-hydrazinyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 80963831
2-tert-butyl-6-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958954
2-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80941605
2-cyclopropyl-N-[(2,5-difluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80968458
4-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384277
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80926174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 80969118) is 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine is Cc1ccsc1CNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is AHVOTUHYBMEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-4-5-19-10(8)7-15-11-6-12(18-14)17-13(16-11)9-2-3-9/h4-6,9H,2-3,7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80969118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).