5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide

C15H18ClN3O2 — CID 62014792

IUPAC5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nc(C(C)C)ncc2Cl)o1
InChIInChI=1S/C15H18ClN3O2/c1-9(2)14-17-7-12(16)13(18-14)15(20)19(4)8-11-6-5-10(3)21-11/h5-7,9H,8H2,1-4H3
InChIKeyJQPFFCSZQJOTHS-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.43
Rot. Bonds4

About 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62014792) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62014792
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2nc(C(C)C)ncc2Cl)o1
InChIInChI=1S/C15H18ClN3O2/c1-9(2)14-17-7-12(16)13(18-14)15(20)19(4)8-11-6-5-10(3)21-11/h5-7,9H,8H2,1-4H3
InChIKeyJQPFFCSZQJOTHS-UHFFFAOYSA-N
XLogP3.43
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-methyl-N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 86858496
5-chloro-N-methyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 62017148
5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 112754436
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014799
5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016557
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015370
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020747
N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119581566
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 113447596
5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55152124
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 36703097

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 62014792) is 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2nc(C(C)C)ncc2Cl)o1.
What is the InChIKey of 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JQPFFCSZQJOTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9(2)14-17-7-12(16)13(18-14)15(20)19(4)8-11-6-5-10(3)21-11/h5-7,9H,8H2,1-4H3.
What are the key properties of 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62014792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).