2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine

C14H19N5S — CID 81006959

IUPAC2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cscc1CNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C14H19N5S/c1-8-6-20-7-11(8)5-16-12-9(2)13(19-15)18-14(17-12)10-3-4-10/h6-7,10H,3-5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyZQQKRMDDWGSVQI-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.93
Rot. Bonds5

About 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine

2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine (PubChem CID 81006959) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
PubChem CID81006959
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cscc1CNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C14H19N5S/c1-8-6-20-7-11(8)5-16-12-9(2)13(19-15)18-14(17-12)10-3-4-10/h6-7,10H,3-5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyZQQKRMDDWGSVQI-UHFFFAOYSA-N
XLogP2.93
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.93
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-hydrazinyl-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 81000587
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80995092
3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 81006614
N-(2-cyclohexylethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80994713
2-cyclopropyl-6-N,5-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80985468
5-methyl-4-N-[(4-methylthiophen-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80991525
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(2-pyrazol-1-ylethyl)pyrimidin-4-amine
CID 80994731

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine (CID 81006959) is 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine is Cc1cscc1CNc1nc(C2CC2)nc(NN)c1C.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZQQKRMDDWGSVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-8-6-20-7-11(8)5-16-12-9(2)13(19-15)18-14(17-12)10-3-4-10/h6-7,10H,3-5,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 289.41 g/mol, XLogP of 2.93, 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-5-methyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 81006959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).