N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine

C15H17N5O2S2 — CID 72893770

IUPACN,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(N(C)Cc2cc(-c3cccs3)n[nH]2)n1
InChIInChI=1S/C15H17N5O2S2/c1-10-16-8-14(24(3,21)22)15(17-10)20(2)9-11-7-12(19-18-11)13-5-4-6-23-13/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyZPVOGDBKIBQYEH-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.28
Rot. Bonds5

About N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine

N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 72893770) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID72893770
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC NameN,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(N(C)Cc2cc(-c3cccs3)n[nH]2)n1
InChIInChI=1S/C15H17N5O2S2/c1-10-16-8-14(24(3,21)22)15(17-10)20(2)9-11-7-12(19-18-11)13-5-4-6-23-13/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyZPVOGDBKIBQYEH-UHFFFAOYSA-N
XLogP2.28
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine (CID 72893770) is N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine is Cc1ncc(S(C)(=O)=O)c(N(C)Cc2cc(-c3cccs3)n[nH]2)n1.
What is the InChIKey of N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZPVOGDBKIBQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-10-16-8-14(24(3,21)22)15(17-10)20(2)9-11-7-12(19-18-11)13-5-4-6-23-13/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine?
N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 363.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-methylsulfonyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 72893770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).