[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C18H22N4O — CID 109262976

IUPAC[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC(C)(C)Nc1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C18H22N4O/c1-18(2,3)21-17-19-11-14(12-20-17)16(23)22-10-6-8-13-7-4-5-9-15(13)22/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,19,20,21)
InChIKeyDXEALBDICGTMQR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.28
Rot. Bonds2

About [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109262976) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109262976
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC(C)(C)Nc1ncc(C(=O)N2CCCc3ccccc32)cn1
InChIInChI=1S/C18H22N4O/c1-18(2,3)21-17-19-11-14(12-20-17)16(23)22-10-6-8-13-7-4-5-9-15(13)22/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,19,20,21)
InChIKeyDXEALBDICGTMQR-UHFFFAOYSA-N
XLogP3.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266246
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266278
3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109250910
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
CID 109266231
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109262976) is [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is CC(C)(C)Nc1ncc(C(=O)N2CCCc3ccccc32)cn1.
What is the InChIKey of [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is DXEALBDICGTMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,3)21-17-19-11-14(12-20-17)16(23)22-10-6-8-13-7-4-5-9-15(13)22/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,19,20,21).
What are the key properties of [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109262976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).