2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid

C14H17N3O3 — CID 107553533

IUPAC2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)CCc2ccco2)n1
InChIInChI=1S/C14H17N3O3/c1-9(5-6-11-4-3-7-20-11)15-14-16-10(2)8-12(17-14)13(18)19/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyQSLNJRSOLZNVHP-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.51
Rot. Bonds6

About 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid

2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107553533) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107553533
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(NC(C)CCc2ccco2)n1
InChIInChI=1S/C14H17N3O3/c1-9(5-6-11-4-3-7-20-11)15-14-16-10(2)8-12(17-14)13(18)19/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyQSLNJRSOLZNVHP-UHFFFAOYSA-N
XLogP2.51
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxybutan-2-ylamino)-6-methylpyrimidine-4-carboxylic acid
CID 107554311
6-[4-(furan-2-yl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 66449084
6-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553898
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
CID 63379862
2-[4-(furan-2-yl)butan-2-ylamino]-5-methylbenzoic acid
CID 62516226
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
2-[4-(furan-2-yl)butan-2-ylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47018684
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
CID 80571184
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319469

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid (CID 107553533) is 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(NC(C)CCc2ccco2)n1.
What is the InChIKey of 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is QSLNJRSOLZNVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(5-6-11-4-3-7-20-11)15-14-16-10(2)8-12(17-14)13(18)19/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid?
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).