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

C18H18ClN5O2 — CID 138635237

IUPACN-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C18H18ClN5O2/c1-10-13(16(25)21-8-11-3-4-12(19)20-7-11)14-15(24-18(2)5-6-18)22-9-23-17(14)26-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyWKSPPMOUBYFMDX-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.47
Rot. Bonds5

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

N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635237) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635237
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C18H18ClN5O2/c1-10-13(16(25)21-8-11-3-4-12(19)20-7-11)14-15(24-18(2)5-6-18)22-9-23-17(14)26-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyWKSPPMOUBYFMDX-UHFFFAOYSA-N
XLogP3.47
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 138635849
N-[(2-chloro-4-fluorophenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635578
N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635755
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635742
N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635882
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635786
N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635366
N-[[4-(1-fluoroethyl)pyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209809
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(oxolan-3-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 164938831
N-(1-ethylcyclopropyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635639
N-[1-(4-fluorophenyl)propan-2-yl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635915
6-methyl-4-[(1-methylcyclopropyl)amino]-N-[2-(2-methylphenoxy)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209511

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635237) is N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)NCc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WKSPPMOUBYFMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-10-13(16(25)21-8-11-3-4-12(19)20-7-11)14-15(24-18(2)5-6-18)22-9-23-17(14)26-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).