5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane

C18H25N5O — CID 142624730

IUPAC5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.Cc1c(-c2cn(C(C)C)c3ncnc(N)c23)noc1C1CC1
InChIInChI=1S/C16H19N5O.C2H6/c1-8(2)21-6-11(12-15(17)18-7-19-16(12)21)13-9(3)14(22-20-13)10-4-5-10;1-2/h6-8,10H,4-5H2,1-3H3,(H2,17,18,19);1-2H3
InChIKeyMWPJLSTZDHBVHF-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.46
Rot. Bonds3

About 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane

5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane (PubChem CID 142624730) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
PubChem CID142624730
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
SMILESCC.Cc1c(-c2cn(C(C)C)c3ncnc(N)c23)noc1C1CC1
InChIInChI=1S/C16H19N5O.C2H6/c1-8(2)21-6-11(12-15(17)18-7-19-16(12)21)13-9(3)14(22-20-13)10-4-5-10;1-2/h6-8,10H,4-5H2,1-3H3,(H2,17,18,19);1-2H3
InChIKeyMWPJLSTZDHBVHF-UHFFFAOYSA-N
XLogP4.46
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-cyclopropyl-1,2-oxazole-4-carboxylate
CID 139331103
16-amino-5-cyclopropyl-11-propan-2-yl-4,8-dioxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one
CID 146526867
16-amino-5-cyclopropyl-11-propan-2-yl-4-oxa-3,8,11,13,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one
CID 146526738
3-(5-cyclopropyl-4-pyrimidin-2-yl-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139331397
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59021381
5-cyclopropyl-7-methylidene-7-oxo-11-propan-2-yl-4-oxa-7λ6-thia-3,8,11,13,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-16-amine
CID 164956816
5-cyclopropyl-11-(3,3-difluorocyclobutyl)-7-methyl-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-16-amine
CID 164987214
16-amino-5-cyclopropyl-8-[2-(4-methylphenyl)ethyl]-11-propan-2-yl-4-oxa-3,8,11,13,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-7-one
CID 165087784
(7S)-5-cyclopropyl-7-methyl-11-[(2S)-1,1,1-trifluoropropan-2-yl]-4-oxa-3,11,13,15-tetrazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-16-amine
CID 164987213
1-tert-butyl-3-[5-cyclopropyl-4-(5-piperidin-4-yl-2-pyridinyl)-1,2-oxazol-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177160559
1-(16-amino-5-cyclopropyl-11-propan-2-yl-4-oxa-3,8,11,13,15-pentazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2,5,12,14,16-hexaen-8-yl)ethanone;2,2,2-trifluoroacetic acid
CID 175704050

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane?
The IUPAC name of 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane (CID 142624730) is 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane.
What is the SMILES notation for 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane?
The canonical SMILES for 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane is CC.Cc1c(-c2cn(C(C)C)c3ncnc(N)c23)noc1C1CC1.
What is the InChIKey of 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane?
The InChIKey is MWPJLSTZDHBVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O.C2H6/c1-8(2)21-6-11(12-15(17)18-7-19-16(12)21)13-9(3)14(22-20-13)10-4-5-10;1-2/h6-8,10H,4-5H2,1-3H3,(H2,17,18,19);1-2H3.
What are the key properties of 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane?
5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane has a molecular weight of 327.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane is sourced from PubChem (CID 142624730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).