4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide

C18H18FN5O3 — CID 142609098

IUPAC4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OCCF
InChIInChI=1S/C18H18FN5O3/c1-11-4-2-7-21-12(11)10-22-17(25)14-15(20)23-16(13-5-3-8-26-13)24-18(14)27-9-6-19/h2-5,7-8H,6,9-10H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyRALRYJLRCWEZLS-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.30
Rot. Bonds7

About 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide

4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide (PubChem CID 142609098) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
PubChem CID142609098
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide
SMILESCc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OCCF
InChIInChI=1S/C18H18FN5O3/c1-11-4-2-7-21-12(11)10-22-17(25)14-15(20)23-16(13-5-3-8-26-13)24-18(14)27-9-6-19/h2-5,7-8H,6,9-10H2,1H3,(H,22,25)(H2,20,23,24)
InChIKeyRALRYJLRCWEZLS-UHFFFAOYSA-N
XLogP2.30
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide (CID 142609098) is 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide is Cc1cccnc1CNC(=O)c1c(N)nc(-c2ccco2)nc1OCCF.
What is the InChIKey of 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RALRYJLRCWEZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-11-4-2-7-21-12(11)10-22-17(25)14-15(20)23-16(13-5-3-8-26-13)24-18(14)27-9-6-19/h2-5,7-8H,6,9-10H2,1H3,(H,22,25)(H2,20,23,24).
What are the key properties of 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide?
4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-fluoroethoxy)-2-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 142609098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).