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

C15H15N7OS — CID 72892964

IUPAC2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2csc(-c3ncccn3)n2)cn1
InChIInChI=1S/C15H15N7OS/c1-2-16-15-20-6-10(7-21-15)13(23)19-8-11-9-24-14(22-11)12-17-4-3-5-18-12/h3-7,9H,2,8H2,1H3,(H,19,23)(H,16,20,21)
InChIKeyIDUWZLYWMMSWPS-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.75
Rot. Bonds6

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

2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72892964) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72892964
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2csc(-c3ncccn3)n2)cn1
InChIInChI=1S/C15H15N7OS/c1-2-16-15-20-6-10(7-21-15)13(23)19-8-11-9-24-14(22-11)12-17-4-3-5-18-12/h3-7,9H,2,8H2,1H3,(H,19,23)(H,16,20,21)
InChIKeyIDUWZLYWMMSWPS-UHFFFAOYSA-N
XLogP1.75
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.75
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-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 72892964) is 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCc2csc(-c3ncccn3)n2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is IDUWZLYWMMSWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-2-16-15-20-6-10(7-21-15)13(23)19-8-11-9-24-14(22-11)12-17-4-3-5-18-12/h3-7,9H,2,8H2,1H3,(H,19,23)(H,16,20,21).
What are the key properties of 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72892964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).