N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide

C18H21N5O2S — CID 138635301

IUPACN,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)s1
InChIInChI=1S/C18H21N5O2S/c1-10-7-19-12(26-10)8-23(4)17(24)13-11(2)25-16-14(13)15(20-9-21-16)22-18(3)5-6-18/h7,9H,5-6,8H2,1-4H3,(H,20,21,22)
InChIKeyWXRGAMNTEWEBJF-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.53
Rot. Bonds5

About N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide

N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635301) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635301
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)s1
InChIInChI=1S/C18H21N5O2S/c1-10-7-19-12(26-10)8-23(4)17(24)13-11(2)25-16-14(13)15(20-9-21-16)22-18(3)5-6-18/h7,9H,5-6,8H2,1-4H3,(H,20,21,22)
InChIKeyWXRGAMNTEWEBJF-UHFFFAOYSA-N
XLogP3.53
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635301) is N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide is Cc1cnc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)s1.
What is the InChIKey of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WXRGAMNTEWEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10-7-19-12(26-10)8-23(4)17(24)13-11(2)25-16-14(13)15(20-9-21-16)22-18(3)5-6-18/h7,9H,5-6,8H2,1-4H3,(H,20,21,22).
What are the key properties of N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide?
N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).