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

C19H22N6O2 — CID 138635882

IUPACN-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nccc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)n1
InChIInChI=1S/C19H22N6O2/c1-4-13-20-8-5-12(24-13)9-21-17(26)14-11(2)27-18-15(14)16(22-10-23-18)25-19(3)6-7-19/h5,8,10H,4,6-7,9H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyBVFFPMXKZCSVKV-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.78
Rot. Bonds6

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

N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635882) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635882
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCc1nccc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)n1
InChIInChI=1S/C19H22N6O2/c1-4-13-20-8-5-12(24-13)9-21-17(26)14-11(2)27-18-15(14)16(22-10-23-18)25-19(3)6-7-19/h5,8,10H,4,6-7,9H2,1-3H3,(H,21,26)(H,22,23,25)
InChIKeyBVFFPMXKZCSVKV-UHFFFAOYSA-N
XLogP2.78
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635882) is N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is CCc1nccc(CNC(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)n1.
What is the InChIKey of N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BVFFPMXKZCSVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-13-20-8-5-12(24-13)9-21-17(26)14-11(2)27-18-15(14)16(22-10-23-18)25-19(3)6-7-19/h5,8,10H,4,6-7,9H2,1-3H3,(H,21,26)(H,22,23,25).
What are the key properties of N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).