2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione

C10H15N3O2S — CID 3876563

IUPAC2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1CCC1OCCO1
InChIInChI=1S/C10H15N3O2S/c1-6-7(9(16)13-10(11)12-6)2-3-8-14-4-5-15-8/h8H,2-5H2,1H3,(H3,11,12,13,16)
InChIKeyRGPXQRBDJZGCNQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.34
Rot. Bonds3

About 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione

2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 3876563) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID3876563
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1CCC1OCCO1
InChIInChI=1S/C10H15N3O2S/c1-6-7(9(16)13-10(11)12-6)2-3-8-14-4-5-15-8/h8H,2-5H2,1H3,(H3,11,12,13,16)
InChIKeyRGPXQRBDJZGCNQ-UHFFFAOYSA-N
XLogP1.34
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione (CID 3876563) is 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione is Cc1[nH]c(N)nc(=S)c1CCC1OCCO1.
What is the InChIKey of 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is RGPXQRBDJZGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-7(9(16)13-10(11)12-6)2-3-8-14-4-5-15-8/h8H,2-5H2,1H3,(H3,11,12,13,16).
What are the key properties of 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione?
2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 241.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(1,3-dioxolan-2-yl)ethyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 3876563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).