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

C19H21N5O3 — CID 138635755

IUPACN-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)nc1
InChIInChI=1S/C19H21N5O3/c1-11-14(17(25)21-8-12-4-5-13(26-3)9-20-12)15-16(24-19(2)6-7-19)22-10-23-18(15)27-11/h4-5,9-10H,6-8H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyVSRIRXIVEUGOKW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.83
Rot. Bonds6

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

N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635755) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635755
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)nc1
InChIInChI=1S/C19H21N5O3/c1-11-14(17(25)21-8-12-4-5-13(26-3)9-20-12)15-16(24-19(2)6-7-19)22-10-23-18(15)27-11/h4-5,9-10H,6-8H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyVSRIRXIVEUGOKW-UHFFFAOYSA-N
XLogP2.83
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635755) is N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)nc1.
What is the InChIKey of N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VSRIRXIVEUGOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-14(17(25)21-8-12-4-5-13(26-3)9-20-12)15-16(24-19(2)6-7-19)22-10-23-18(15)27-11/h4-5,9-10H,6-8H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).