N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H17N5S — CID 139010876

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(CN(C)c2nc(C)nc3[nH]ccc23)cs1
InChIInChI=1S/C14H17N5S/c1-4-12-18-10(8-20-12)7-19(3)14-11-5-6-15-13(11)16-9(2)17-14/h5-6,8H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyNWXGLLOZWNPWLH-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.92
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139010876) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139010876
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(CN(C)c2nc(C)nc3[nH]ccc23)cs1
InChIInChI=1S/C14H17N5S/c1-4-12-18-10(8-20-12)7-19(3)14-11-5-6-15-13(11)16-9(2)17-14/h5-6,8H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyNWXGLLOZWNPWLH-UHFFFAOYSA-N
XLogP2.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 139010876) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1nc(CN(C)c2nc(C)nc3[nH]ccc23)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NWXGLLOZWNPWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-4-12-18-10(8-20-12)7-19(3)14-11-5-6-15-13(11)16-9(2)17-14/h5-6,8H,4,7H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,2-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139010876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).