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

C12H21N5S — CID 80946656

IUPAC6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCC2CCCS2)n1
InChIInChI=1S/C12H21N5S/c1-2-4-10-15-11(7-12(16-10)17-13)14-8-9-5-3-6-18-9/h7,9H,2-6,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyNMMZQPOBHAVGFZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.02
Rot. Bonds6

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

6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80946656) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID80946656
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(NN)cc(NCC2CCCS2)n1
InChIInChI=1S/C12H21N5S/c1-2-4-10-15-11(7-12(16-10)17-13)14-8-9-5-3-6-18-9/h7,9H,2-6,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyNMMZQPOBHAVGFZ-UHFFFAOYSA-N
XLogP2.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.02
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-propyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80950697
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
6-hydrazinyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4-diamine
CID 80926536
6-hydrazinyl-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 81007299
6-hydrazinyl-N-(thian-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775909
6-N-propyl-4-N-(thian-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80852734
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80947634
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947458
2-N-ethyl-6-N-(thiolan-2-ylmethyl)pyridine-2,6-diamine
CID 80852493
6-chloro-5-methyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80978762
2-tert-butyl-4-N-(thiolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965810

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine (CID 80946656) is 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(NN)cc(NCC2CCCS2)n1.
What is the InChIKey of 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is NMMZQPOBHAVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-2-4-10-15-11(7-12(16-10)17-13)14-8-9-5-3-6-18-9/h7,9H,2-6,8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-propyl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80946656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).