6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C19H20N4O2 — CID 11290634

IUPAC6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(C(C)C)n2)o1
InChIInChI=1S/C19H20N4O2/c1-12(2)18-22-15(17-8-7-13(3)25-17)10-16(23-18)19(24)21-11-14-6-4-5-9-20-14/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyDLQORZCPFGRCDA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.49
Rot. Bonds5

About 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 11290634) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID11290634
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(C(C)C)n2)o1
InChIInChI=1S/C19H20N4O2/c1-12(2)18-22-15(17-8-7-13(3)25-17)10-16(23-18)19(24)21-11-14-6-4-5-9-20-14/h4-10,12H,11H2,1-3H3,(H,21,24)
InChIKeyDLQORZCPFGRCDA-UHFFFAOYSA-N
XLogP3.49
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 118
CID 44520982
Pyrimidine-4-carboxamide, 26
CID 11220580
Pyrimidine-4-carboxamide, 122
CID 11232232
Pyrimidine-4-carboxamide, 109
CID 11324754
Pyrimidine-4-carboxamide, 117
CID 11381773
Pyrimidine-4-carboxamide, 25
CID 11426423
Pyrimidine-4-carboxamide, 27
CID 44520941
4-Pyrimidinecarboxamide,6-(5-methyl-2-furanyl)-n-(2-pyridinylmethyl)-
CID 44520975
4-Pyrimidinecarboxamide,2-amino-6-(5-methyl-2-furanyl)-n-[(6-methyl-2-pyridinyl)methyl]-
CID 44520976
Pyrimidine-4-carboxamide, 115
CID 44520980
N-(2-(furan-2-yl)-3,4''-bipyridin-6-yl)acetamide
CID 46880333

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 11290634) is 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccn3)nc(C(C)C)n2)o1.
What is the InChIKey of 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is DLQORZCPFGRCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(2)18-22-15(17-8-7-13(3)25-17)10-16(23-18)19(24)21-11-14-6-4-5-9-20-14/h4-10,12H,11H2,1-3H3,(H,21,24).
What are the key properties of 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-2-yl)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 11290634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).