N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C15H22N6S — CID 45193899

IUPACN-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN(C)C1(CNc2nccc(-c3cnn(C)c3)n2)CCSC1
InChIInChI=1S/C15H22N6S/c1-20(2)15(5-7-22-11-15)10-17-14-16-6-4-13(19-14)12-8-18-21(3)9-12/h4,6,8-9H,5,7,10-11H2,1-3H3,(H,16,17,19)
InChIKeyANBDLXAPRSSYRT-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.73
Rot. Bonds5

About N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 45193899) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID45193899
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCN(C)C1(CNc2nccc(-c3cnn(C)c3)n2)CCSC1
InChIInChI=1S/C15H22N6S/c1-20(2)15(5-7-22-11-15)10-17-14-16-6-4-13(19-14)12-8-18-21(3)9-12/h4,6,8-9H,5,7,10-11H2,1-3H3,(H,16,17,19)
InChIKeyANBDLXAPRSSYRT-UHFFFAOYSA-N
XLogP1.73
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 45193899) is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is CN(C)C1(CNc2nccc(-c3cnn(C)c3)n2)CCSC1.
What is the InChIKey of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is ANBDLXAPRSSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-20(2)15(5-7-22-11-15)10-17-14-16-6-4-13(19-14)12-8-18-21(3)9-12/h4,6,8-9H,5,7,10-11H2,1-3H3,(H,16,17,19).
What are the key properties of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 318.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 45193899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).