2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide

C18H17FN4O2 — CID 72927586

IUPAC2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C18H17FN4O2/c1-2-20-18-22-9-13(10-23-18)17(24)21-11-15-7-8-16(25-15)12-3-5-14(19)6-4-12/h3-10H,2,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyCPKMTQGLNFWOCQ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.24
Rot. Bonds6

About 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 72927586) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide
PubChem CID72927586
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C18H17FN4O2/c1-2-20-18-22-9-13(10-23-18)17(24)21-11-15-7-8-16(25-15)12-3-5-14(19)6-4-12/h3-10H,2,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyCPKMTQGLNFWOCQ-UHFFFAOYSA-N
XLogP3.24
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tersolisib
CID 166532451
1-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719605
3,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
CID 16067639
(E)-N-Methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylamide
CID 16659988
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 16660305
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[3-[(pyrimidin-2-ylamino)methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 21045817
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[[4-[(pyrimidin-2-ylamino)methyl]cyclohexyl]methyl]furan-2-carboxamide
CID 21045833
5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carboxylic acid 3-[(5-fluoro-4-methyl-pyrimidin-2-ylamino)-methyl]-benzylamide
CID 21047538
(E)-3-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
CID 24891659
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-2,3,5,6-tetrahydro-1H-pyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide
CID 45487644
(E)-N-Methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylamide
CID 45487682
3-[2-(2-anilino-5-methylpyrimidin-4-yl)-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
CID 72202548

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide (CID 72927586) is 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is CPKMTQGLNFWOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-2-20-18-22-9-13(10-23-18)17(24)21-11-15-7-8-16(25-15)12-3-5-14(19)6-4-12/h3-10H,2,11H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72927586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).