6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine

C13H23N5S — CID 81007299

IUPAC6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCC2CCCS2)n1
InChIInChI=1S/C13H23N5S/c1-3-5-11-16-12(9(2)13(17-11)18-14)15-8-10-6-4-7-19-10/h10H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyUGRFNIPEXOQDSN-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.33
Rot. Bonds6

About 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 81007299) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID81007299
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCC2CCCS2)n1
InChIInChI=1S/C13H23N5S/c1-3-5-11-16-12(9(2)13(17-11)18-14)15-8-10-6-4-7-19-10/h10H,3-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyUGRFNIPEXOQDSN-UHFFFAOYSA-N
XLogP2.33
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.33
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

6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80978762
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80946656
2-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991755
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991863
2-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80950697
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991756
N-(3-cyclopentylpropyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106012944
2,5-dimethyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851915
6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007115

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine (CID 81007299) is 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(NN)c(C)c(NCC2CCCS2)n1.
What is the InChIKey of 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UGRFNIPEXOQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-3-5-11-16-12(9(2)13(17-11)18-14)15-8-10-6-4-7-19-10/h10H,3-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 281.43 g/mol, XLogP of 2.33, 6 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-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 81007299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).