2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

C16H17N7OS — CID 72938924

IUPAC2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2csc(-c3ncccn3)n2)cn1
InChIInChI=1S/C16H17N7OS/c1-2-17-16-21-8-11(9-22-16)14(24)20-7-4-12-10-25-15(23-12)13-18-5-3-6-19-13/h3,5-6,8-10H,2,4,7H2,1H3,(H,20,24)(H,17,21,22)
InChIKeyUIJPCWDTPUXUPX-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.79
Rot. Bonds7

About 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 72938924) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID72938924
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCc2csc(-c3ncccn3)n2)cn1
InChIInChI=1S/C16H17N7OS/c1-2-17-16-21-8-11(9-22-16)14(24)20-7-4-12-10-25-15(23-12)13-18-5-3-6-19-13/h3,5-6,8-10H,2,4,7H2,1H3,(H,20,24)(H,17,21,22)
InChIKeyUIJPCWDTPUXUPX-UHFFFAOYSA-N
XLogP1.79
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 72938924) is 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCCc2csc(-c3ncccn3)n2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is UIJPCWDTPUXUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-2-17-16-21-8-11(9-22-16)14(24)20-7-4-12-10-25-15(23-12)13-18-5-3-6-19-13/h3,5-6,8-10H,2,4,7H2,1H3,(H,20,24)(H,17,21,22).
What are the key properties of 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72938924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).