5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine

C17H21N5O4S — CID 146173235

IUPAC5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(S(=O)(=O)[C@H]3CCOC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21N5O4S/c18-17-19-9-12(10-20-17)15-7-14(27(23,24)13-1-4-26-11-13)8-16(21-15)22-2-5-25-6-3-22/h7-10,13H,1-6,11H2,(H2,18,19,20)/t13-/m0/s1
InChIKeyXNGARQQVWZXOKC-ZDUSSCGKSA-N
MW391.45 g/mol
LogP0.52
Rot. Bonds4

About 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine

5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine (PubChem CID 146173235) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine
PubChem CID146173235
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(S(=O)(=O)[C@H]3CCOC3)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21N5O4S/c18-17-19-9-12(10-20-17)15-7-14(27(23,24)13-1-4-26-11-13)8-16(21-15)22-2-5-25-6-3-22/h7-10,13H,1-6,11H2,(H2,18,19,20)/t13-/m0/s1
InChIKeyXNGARQQVWZXOKC-ZDUSSCGKSA-N
XLogP0.52
TPSA120.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[6-chloro-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]morpholine
CID 155758423
5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
CID 59198406
5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)pyrimidin-2-amine
CID 146173263
N-cyclopropyl-5-[3-morpholin-4-yl-5-(oxolan-3-ylsulfonyl)phenyl]pyrimidin-2-amine
CID 146177394
5-[3-(1-tert-butylazetidin-3-yl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 175086964
3-[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylazetidine-1-carboxamide
CID 146177464
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717
1-[3-[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylazetidin-1-yl]-2,2-dimethylpropan-1-one
CID 146177471
5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
CID 157319144
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
5-(4-morpholin-4-yl-6-phenylsulfanyl-2-pyridinyl)pyrimidin-2-amine
CID 146177512
5-[7-[3-(cyclopropylsulfonylmethyl)phenyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 161224030

Frequently Asked Questions

What is the IUPAC name of 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine (CID 146173235) is 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2cc(S(=O)(=O)[C@H]3CCOC3)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is XNGARQQVWZXOKC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O4S/c18-17-19-9-12(10-20-17)15-7-14(27(23,24)13-1-4-26-11-13)8-16(21-15)22-2-5-25-6-3-22/h7-10,13H,1-6,11H2,(H2,18,19,20)/t13-/m0/s1.
What are the key properties of 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine?
5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 391.45 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 146173235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).