6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine

C12H21N5S — CID 103065385

IUPAC6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NC1CCSC1
InChIInChI=1S/C12H21N5S/c1-7(2)10-15-11(8(3)12(16-10)17-13)14-9-4-5-18-6-9/h7,9H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyLUKZHGRLNWVWHF-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.11
Rot. Bonds4

About 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine

6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine (PubChem CID 103065385) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine
PubChem CID103065385
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NC1CCSC1
InChIInChI=1S/C12H21N5S/c1-7(2)10-15-11(8(3)12(16-10)17-13)14-9-4-5-18-6-9/h7,9H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyLUKZHGRLNWVWHF-UHFFFAOYSA-N
XLogP2.11
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.11
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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine (CID 103065385) is 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine is Cc1c(NN)nc(C(C)C)nc1NC1CCSC1.
What is the InChIKey of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine?
The InChIKey is LUKZHGRLNWVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-7(2)10-15-11(8(3)12(16-10)17-13)14-9-4-5-18-6-9/h7,9H,4-6,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine?
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-(thiolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 103065385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).