N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C18H26N4O2 — CID 46982169

IUPACN-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N(Cc2ccco2)C(C)C(C)C)cn1
InChIInChI=1S/C18H26N4O2/c1-12(2)14(5)22(11-16-7-6-8-24-16)17(23)15-9-19-18(20-10-15)21-13(3)4/h6-10,12-14H,11H2,1-5H3,(H,19,20,21)
InChIKeyDTXIGCWKODKQNA-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.58
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 46982169) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID46982169
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N(Cc2ccco2)C(C)C(C)C)cn1
InChIInChI=1S/C18H26N4O2/c1-12(2)14(5)22(11-16-7-6-8-24-16)17(23)15-9-19-18(20-10-15)21-13(3)4/h6-10,12-14H,11H2,1-5H3,(H,19,20,21)
InChIKeyDTXIGCWKODKQNA-UHFFFAOYSA-N
XLogP3.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 46999123
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 50949917
N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94599867
(E)-N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)hex-3-enamide
CID 50983253
N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 132988725
2-(ethylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 72842683
N-benzyl-6-(furan-2-ylmethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109155319
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
4-[[[furan-2-ylmethyl(propan-2-yl)carbamoyl]amino]methyl]benzoic acid
CID 122019561

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 46982169) is N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)N(Cc2ccco2)C(C)C(C)C)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is DTXIGCWKODKQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)14(5)22(11-16-7-6-8-24-16)17(23)15-9-19-18(20-10-15)21-13(3)4/h6-10,12-14H,11H2,1-5H3,(H,19,20,21).
What are the key properties of N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 46982169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).