N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide

C18H20N4O4S — CID 70275853

IUPACN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)C3=COCCC3)cc2)n1
InChIInChI=1S/C18H20N4O4S/c1-27(24,25)11-15-9-16(19)22-17(20-15)12-4-6-14(7-5-12)21-18(23)13-3-2-8-26-10-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyBAKFSLYHGOKMPJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.90
Rot. Bonds5

About N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 70275853) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID70275853
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)C3=COCCC3)cc2)n1
InChIInChI=1S/C18H20N4O4S/c1-27(24,25)11-15-9-16(19)22-17(20-15)12-4-6-14(7-5-12)21-18(23)13-3-2-8-26-10-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyBAKFSLYHGOKMPJ-UHFFFAOYSA-N
XLogP1.90
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 70306369
N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
CID 70274596
N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(furan-2-yl)propanamide
CID 70274887
1-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(5-methyl-1,2-oxazol-4-yl)urea
CID 70305483
1-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)urea
CID 70306670
1-[4-[4-amino-6-(ethylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-propan-2-ylurea
CID 70271620
2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 25168049
1-[4-[4-amino-6-(cyclopentylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
CID 70305788
1-(2-methoxyethyl)-1-methyl-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 70865129
N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-2-pyrimidin-2-ylacetamide
CID 25168728
1-[4-[4-amino-6-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]pyrimidin-2-yl]phenyl]-3-cyclopropylurea
CID 70305655
1-(2-hydroxyethyl)-1-methyl-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 68707716

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 70275853) is N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide is CS(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)C3=COCCC3)cc2)n1.
What is the InChIKey of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is BAKFSLYHGOKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-27(24,25)11-15-9-16(19)22-17(20-15)12-4-6-14(7-5-12)21-18(23)13-3-2-8-26-10-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,21,23)(H2,19,20,22).
What are the key properties of N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 70275853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).