N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide

C15H16N6O2S — CID 505746

IUPACN-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCO)c(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C15H16N6O2S/c1-24-15-17-8-11(14(23)16-4-5-22)13(20-15)19-10-3-2-9-7-18-21-12(9)6-10/h2-3,6-8,22H,4-5H2,1H3,(H,16,23)(H,18,21)(H,17,19,20)
InChIKeyMVCVFABXKBJEGA-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.54
Rot. Bonds6

About N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide

N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 505746) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID505746
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCO)c(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C15H16N6O2S/c1-24-15-17-8-11(14(23)16-4-5-22)13(20-15)19-10-3-2-9-7-18-21-12(9)6-10/h2-3,6-8,22H,4-5H2,1H3,(H,16,23)(H,18,21)(H,17,19,20)
InChIKeyMVCVFABXKBJEGA-UHFFFAOYSA-N
XLogP1.54
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide (CID 505746) is N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCO)c(Nc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is MVCVFABXKBJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-24-15-17-8-11(14(23)16-4-5-22)13(20-15)19-10-3-2-9-7-18-21-12(9)6-10/h2-3,6-8,22H,4-5H2,1H3,(H,16,23)(H,18,21)(H,17,19,20).
What are the key properties of N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 505746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).